smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCOCC1 ZINC000033081548 539967360 /nfs/dbraw/zinc/96/73/60/539967360.db2.gz VSYBFLPJEIUPHA-AWEZNQCLSA-N 1 2 373.478 2.451 10 0 FEAELO C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000047618298 540320463 /nfs/dbraw/zinc/32/04/63/540320463.db2.gz GRAMBFOREHMXLS-GFCCVEGCSA-N 1 2 361.364 2.278 10 0 FEAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000066832166 541376787 /nfs/dbraw/zinc/37/67/87/541376787.db2.gz ATPMGPWWDPGBDL-LLVKDONJSA-N 1 2 369.347 2.066 10 0 FEAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000066832166 541376790 /nfs/dbraw/zinc/37/67/90/541376790.db2.gz ATPMGPWWDPGBDL-LLVKDONJSA-N 1 2 369.347 2.066 10 0 FEAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000066896718 541388669 /nfs/dbraw/zinc/38/86/69/541388669.db2.gz AZNNEQQPZFPBBE-GOSISDBHSA-N 1 2 356.470 2.231 10 0 FEAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000066896718 541388673 /nfs/dbraw/zinc/38/86/73/541388673.db2.gz AZNNEQQPZFPBBE-GOSISDBHSA-N 1 2 356.470 2.231 10 0 FEAELO Cn1cnnc1C[NH2+]Cc1cc(Br)c(Br)o1 ZINC000050361018 205178677 /nfs/dbraw/zinc/17/86/77/205178677.db2.gz OHXCBBWIQIGOMG-UHFFFAOYSA-N 1 2 350.014 2.223 10 0 FEAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NC[C@@H]1CCCO1 ZINC000065245264 205328280 /nfs/dbraw/zinc/32/82/80/205328280.db2.gz DISUANVXHKLKJE-WBVHZDCISA-N 1 2 373.501 2.343 10 0 FEAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000065245264 205328285 /nfs/dbraw/zinc/32/82/85/205328285.db2.gz DISUANVXHKLKJE-WBVHZDCISA-N 1 2 373.501 2.343 10 0 FEAELO CC(C)Cn1c(C[NH+]2CCC(NS(C)(=O)=O)CC2)nc2ccccc21 ZINC000065385132 205342709 /nfs/dbraw/zinc/34/27/09/205342709.db2.gz ZFHCHKOJMQNGMD-UHFFFAOYSA-N 1 2 364.515 2.206 10 0 FEAELO COC(=O)c1cc2n(n1)CC[N@H+](Cc1cnn(-c3ccccc3)c1C)C2 ZINC000065385101 205342985 /nfs/dbraw/zinc/34/29/85/205342985.db2.gz HAMGHLVLHYCZGE-UHFFFAOYSA-N 1 2 351.410 2.180 10 0 FEAELO COC(=O)c1cc2n(n1)CC[N@@H+](Cc1cnn(-c3ccccc3)c1C)C2 ZINC000065385101 205342991 /nfs/dbraw/zinc/34/29/91/205342991.db2.gz HAMGHLVLHYCZGE-UHFFFAOYSA-N 1 2 351.410 2.180 10 0 FEAELO CCN(CC)C(=O)[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000073715354 541990449 /nfs/dbraw/zinc/99/04/49/541990449.db2.gz FPHCBPLGCZNWRK-QGZVFWFLSA-N 1 2 373.501 2.093 10 0 FEAELO O=S(=O)(c1ccccc1)N1CC[NH+](CCc2c[nH]c3ncccc23)CC1 ZINC000075495572 542182372 /nfs/dbraw/zinc/18/23/72/542182372.db2.gz KEZOUYDWQJZIIN-UHFFFAOYSA-N 1 2 370.478 2.112 10 0 FEAELO CC(=O)NC1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000076470912 542282663 /nfs/dbraw/zinc/28/26/63/542282663.db2.gz XKJJFDCZAPAQCM-AWEZNQCLSA-N 1 2 355.442 2.243 10 0 FEAELO C[NH+]1CCN(c2cccc3[nH]nc(S(=O)(=O)c4ccccc4)c32)CC1 ZINC000089195853 132200071 /nfs/dbraw/zinc/20/00/71/132200071.db2.gz UXLQVXFFGFVMAM-UHFFFAOYSA-N 1 2 356.451 2.148 10 0 FEAELO CCc1ccc([C@H](C)NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000103505766 543112622 /nfs/dbraw/zinc/11/26/22/543112622.db2.gz YPGKJWOHGXHNNT-HOTGVXAUSA-N 1 2 372.513 2.304 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106073939 543190064 /nfs/dbraw/zinc/19/00/64/543190064.db2.gz MZOWLXYZQJTWID-UHFFFAOYSA-N 1 2 367.453 2.138 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106073939 543190067 /nfs/dbraw/zinc/19/00/67/543190067.db2.gz MZOWLXYZQJTWID-UHFFFAOYSA-N 1 2 367.453 2.138 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106085474 543192940 /nfs/dbraw/zinc/19/29/40/543192940.db2.gz KBMWNHWXVFVYJI-UHFFFAOYSA-N 1 2 367.453 2.219 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)C(=O)NC(C)(C)CC)CC2)n1 ZINC000106137760 543207121 /nfs/dbraw/zinc/20/71/21/543207121.db2.gz GJGCTBUDYPPQEV-KGLIPLIRSA-N 1 2 351.495 2.004 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)n1 ZINC000106152592 543209514 /nfs/dbraw/zinc/20/95/14/543209514.db2.gz TWGCQXQVAPGXRY-UHFFFAOYSA-N 1 2 364.453 2.383 10 0 FEAELO Cc1nnc(CN(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C1CC1 ZINC000106160369 543209967 /nfs/dbraw/zinc/20/99/67/543209967.db2.gz QMOCUNKPVQIEKQ-INIZCTEOSA-N 1 2 361.515 2.488 10 0 FEAELO Cc1nnc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1C1CC1 ZINC000106160369 543209968 /nfs/dbraw/zinc/20/99/68/543209968.db2.gz QMOCUNKPVQIEKQ-INIZCTEOSA-N 1 2 361.515 2.488 10 0 FEAELO Cc1nnc(C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1C1CC1 ZINC000106160369 543209969 /nfs/dbraw/zinc/20/99/69/543209969.db2.gz QMOCUNKPVQIEKQ-INIZCTEOSA-N 1 2 361.515 2.488 10 0 FEAELO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(F)cc1Cl ZINC000106175925 543213944 /nfs/dbraw/zinc/21/39/44/543213944.db2.gz FVSKBSCKASAQKX-GFCCVEGCSA-N 1 2 351.813 2.421 10 0 FEAELO O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(F)cc1Cl ZINC000106175925 543213946 /nfs/dbraw/zinc/21/39/46/543213946.db2.gz FVSKBSCKASAQKX-GFCCVEGCSA-N 1 2 351.813 2.421 10 0 FEAELO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190485 543215419 /nfs/dbraw/zinc/21/54/19/543215419.db2.gz BVOVLPCFIANWFG-IKGGRYGDSA-N 1 2 374.510 2.398 10 0 FEAELO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190485 543215420 /nfs/dbraw/zinc/21/54/20/543215420.db2.gz BVOVLPCFIANWFG-IKGGRYGDSA-N 1 2 374.510 2.398 10 0 FEAELO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000106190743 543215523 /nfs/dbraw/zinc/21/55/23/543215523.db2.gz SKXCCOZQZWKTQP-ZWOKBUDYSA-N 1 2 370.497 2.412 10 0 FEAELO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000106190743 543215525 /nfs/dbraw/zinc/21/55/25/543215525.db2.gz SKXCCOZQZWKTQP-ZWOKBUDYSA-N 1 2 370.497 2.412 10 0 FEAELO CCN(C(=O)C[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000106202056 543217674 /nfs/dbraw/zinc/21/76/74/543217674.db2.gz RXQYPULLAAGXEW-IBGZPJMESA-N 1 2 356.470 2.254 10 0 FEAELO CCN(C(=O)C[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000106202056 543217675 /nfs/dbraw/zinc/21/76/75/543217675.db2.gz RXQYPULLAAGXEW-IBGZPJMESA-N 1 2 356.470 2.254 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000107075677 543261023 /nfs/dbraw/zinc/26/10/23/543261023.db2.gz SVOMRDPQRQRIFZ-HNNXBMFYSA-N 1 2 363.483 2.426 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000107075681 543261256 /nfs/dbraw/zinc/26/12/56/543261256.db2.gz SVOMRDPQRQRIFZ-OAHLLOKOSA-N 1 2 363.483 2.426 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(N(C)C)ccn3)CC2)cn1 ZINC000109664248 543333118 /nfs/dbraw/zinc/33/31/18/543333118.db2.gz NHTJTBNFDVBSOL-UHFFFAOYSA-N 1 2 370.501 2.102 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(N(C)C)ccn3)CC2)cn1 ZINC000109664248 543333120 /nfs/dbraw/zinc/33/31/20/543333120.db2.gz NHTJTBNFDVBSOL-UHFFFAOYSA-N 1 2 370.501 2.102 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)CCCc2ccccc2Br)C1 ZINC000156335606 545618979 /nfs/dbraw/zinc/61/89/79/545618979.db2.gz SVENEWBALUFQEA-CQSZACIVSA-N 1 2 355.276 2.219 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)CCCc2ccccc2Br)C1 ZINC000156335606 545618980 /nfs/dbraw/zinc/61/89/80/545618980.db2.gz SVENEWBALUFQEA-CQSZACIVSA-N 1 2 355.276 2.219 10 0 FEAELO CCCCOCCCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111793493 543415963 /nfs/dbraw/zinc/41/59/63/543415963.db2.gz HMVBMINGYTZXKK-UHFFFAOYSA-N 1 2 354.520 2.486 10 0 FEAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000114202043 543507861 /nfs/dbraw/zinc/50/78/61/543507861.db2.gz XPLBFLZPQGZALM-SFHVURJKSA-N 1 2 367.453 2.468 10 0 FEAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000114202043 543507865 /nfs/dbraw/zinc/50/78/65/543507865.db2.gz XPLBFLZPQGZALM-SFHVURJKSA-N 1 2 367.453 2.468 10 0 FEAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1C(=O)NC1CC1 ZINC000114202460 543507917 /nfs/dbraw/zinc/50/79/17/543507917.db2.gz FODQCKSINGOQRM-SFHVURJKSA-N 1 2 367.453 2.468 10 0 FEAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1C(=O)NC1CC1 ZINC000114202460 543507921 /nfs/dbraw/zinc/50/79/21/543507921.db2.gz FODQCKSINGOQRM-SFHVURJKSA-N 1 2 367.453 2.468 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCCc2ccccc2)CC1 ZINC000115642155 543579162 /nfs/dbraw/zinc/57/91/62/543579162.db2.gz QTNWZRCKMHVLLO-UHFFFAOYSA-N 1 2 369.513 2.497 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCc2cccc(C)c2)CC1 ZINC000115670899 543580489 /nfs/dbraw/zinc/58/04/89/543580489.db2.gz GNEXPNARHJKSND-UHFFFAOYSA-N 1 2 369.513 2.415 10 0 FEAELO CC(C)CCCNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117477476 543633424 /nfs/dbraw/zinc/63/34/24/543633424.db2.gz WYMQLMLZAOMPFH-SFHVURJKSA-N 1 2 363.502 2.190 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1CC ZINC000116898979 543619233 /nfs/dbraw/zinc/61/92/33/543619233.db2.gz NIWARHLCDXNALF-ZDUSSCGKSA-N 1 2 362.442 2.086 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C[C@@H]1CC ZINC000116898979 543619237 /nfs/dbraw/zinc/61/92/37/543619237.db2.gz NIWARHLCDXNALF-ZDUSSCGKSA-N 1 2 362.442 2.086 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3O)CC2)cn1 ZINC000123710352 543778638 /nfs/dbraw/zinc/77/86/38/543778638.db2.gz WWJHDXCFVIAJPY-UHFFFAOYSA-N 1 2 360.433 2.486 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3O)CC2)cn1 ZINC000123710352 543778640 /nfs/dbraw/zinc/77/86/40/543778640.db2.gz WWJHDXCFVIAJPY-UHFFFAOYSA-N 1 2 360.433 2.486 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)cn1 ZINC000127340121 543987147 /nfs/dbraw/zinc/98/71/47/543987147.db2.gz BCIUSKSGJRMSND-UHFFFAOYSA-N 1 2 372.517 2.282 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)cn1 ZINC000127340121 543987151 /nfs/dbraw/zinc/98/71/51/543987151.db2.gz BCIUSKSGJRMSND-UHFFFAOYSA-N 1 2 372.517 2.282 10 0 FEAELO Cc1cccc([C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c2ccccn2)c1 ZINC000127474025 543995378 /nfs/dbraw/zinc/99/53/78/543995378.db2.gz DRQWUWKKSMIKDR-IEBWSBKVSA-N 1 2 354.454 2.109 10 0 FEAELO Cc1cccc([C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2ccccn2)c1 ZINC000127474025 543995380 /nfs/dbraw/zinc/99/53/80/543995380.db2.gz DRQWUWKKSMIKDR-IEBWSBKVSA-N 1 2 354.454 2.109 10 0 FEAELO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000128152205 544035877 /nfs/dbraw/zinc/03/58/77/544035877.db2.gz VCBOSMIJOAJRQN-CJNGLKHVSA-N 1 2 374.403 2.008 10 0 FEAELO CCc1nnc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)[nH]1 ZINC000129246873 544100300 /nfs/dbraw/zinc/10/03/00/544100300.db2.gz PJTZFGIETRYXKP-HNNXBMFYSA-N 1 2 356.405 2.470 10 0 FEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)[nH]1 ZINC000129246873 544100303 /nfs/dbraw/zinc/10/03/03/544100303.db2.gz PJTZFGIETRYXKP-HNNXBMFYSA-N 1 2 356.405 2.470 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(F)cc3F)CC2)cn1 ZINC000130851127 544168307 /nfs/dbraw/zinc/16/83/07/544168307.db2.gz IHNBLOWDJKJZHX-UHFFFAOYSA-N 1 2 352.360 2.186 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)c(F)cc3F)CC2)cn1 ZINC000130851127 544168309 /nfs/dbraw/zinc/16/83/09/544168309.db2.gz IHNBLOWDJKJZHX-UHFFFAOYSA-N 1 2 352.360 2.186 10 0 FEAELO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000130015844 544135634 /nfs/dbraw/zinc/13/56/34/544135634.db2.gz ZYLKGXVFTLUJRW-NEPJUHHUSA-N 1 2 351.497 2.224 10 0 FEAELO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000130015844 544135637 /nfs/dbraw/zinc/13/56/37/544135637.db2.gz ZYLKGXVFTLUJRW-NEPJUHHUSA-N 1 2 351.497 2.224 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)s1 ZINC000133068010 544254936 /nfs/dbraw/zinc/25/49/36/544254936.db2.gz OUHIAJUVAYWRIQ-GOSISDBHSA-N 1 2 357.479 2.410 10 0 FEAELO CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000136830562 544379420 /nfs/dbraw/zinc/37/94/20/544379420.db2.gz SVHBVRLAZHJGAJ-HNNXBMFYSA-N 1 2 350.426 2.332 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000137000339 544382966 /nfs/dbraw/zinc/38/29/66/544382966.db2.gz XZCGEWDOLXKRIM-LBPRGKRZSA-N 1 2 363.491 2.091 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000137000339 544382969 /nfs/dbraw/zinc/38/29/69/544382969.db2.gz XZCGEWDOLXKRIM-LBPRGKRZSA-N 1 2 363.491 2.091 10 0 FEAELO C[C@@H](CNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000152075211 544611969 /nfs/dbraw/zinc/61/19/69/544611969.db2.gz ICAHEWUDRGJCIY-INIZCTEOSA-N 1 2 367.449 2.389 10 0 FEAELO CCCNC(=O)[C@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152901699 544709563 /nfs/dbraw/zinc/70/95/63/544709563.db2.gz CPSUVOMWXIRRGM-INIZCTEOSA-N 1 2 356.470 2.374 10 0 FEAELO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000153218304 544748152 /nfs/dbraw/zinc/74/81/52/544748152.db2.gz TXQJJCRGPATISK-FUHWJXTLSA-N 1 2 370.428 2.123 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)NC2(c3cccc(Br)c3)CC2)C1 ZINC000154746878 544943479 /nfs/dbraw/zinc/94/34/79/544943479.db2.gz BKIODVWHWZJVED-CQSZACIVSA-N 1 2 368.275 2.068 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)NC2(c3cccc(Br)c3)CC2)C1 ZINC000154746878 544943483 /nfs/dbraw/zinc/94/34/83/544943483.db2.gz BKIODVWHWZJVED-CQSZACIVSA-N 1 2 368.275 2.068 10 0 FEAELO 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C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000104798046 543145281 /nfs/dbraw/zinc/14/52/81/543145281.db2.gz LPJQPPAKIBFCDC-AWEZNQCLSA-N 1 2 367.440 2.406 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(c3c(F)cccc3F)CCCC2)C1 ZINC000104798046 543145283 /nfs/dbraw/zinc/14/52/83/543145283.db2.gz LPJQPPAKIBFCDC-AWEZNQCLSA-N 1 2 367.440 2.406 10 0 FEAELO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070595 543189186 /nfs/dbraw/zinc/18/91/86/543189186.db2.gz UIZAMUQITQRTRZ-CYBMUJFWSA-N 1 2 360.849 2.064 10 0 FEAELO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070595 543189188 /nfs/dbraw/zinc/18/91/88/543189188.db2.gz UIZAMUQITQRTRZ-CYBMUJFWSA-N 1 2 360.849 2.064 10 0 FEAELO Cc1ccc(N2CCC[N@H+](CC(=O)Nc3cc(C(C)(C)C)no3)CC2)nn1 ZINC000106073115 543189539 /nfs/dbraw/zinc/18/95/39/543189539.db2.gz MVULOECYQBWKFG-UHFFFAOYSA-N 1 2 372.473 2.221 10 0 FEAELO Cc1ccc(N2CCC[N@@H+](CC(=O)Nc3cc(C(C)(C)C)no3)CC2)nn1 ZINC000106073115 543189542 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CC(=O)c1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000111612808 543408685 /nfs/dbraw/zinc/40/86/85/543408685.db2.gz GESDGNGMRQZKSR-FQEVSTJZSA-N 1 2 352.434 2.381 10 0 FEAELO C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCS1 ZINC000111896526 543424019 /nfs/dbraw/zinc/42/40/19/543424019.db2.gz QCVRKYHBALXQTO-WMZOPIPTSA-N 1 2 363.527 2.077 10 0 FEAELO CCc1nc2n(n1)C[C@@H](NC(=O)NCCC[N@@H+](CC)c1ccccc1)CC2 ZINC000114916735 543544307 /nfs/dbraw/zinc/54/43/07/543544307.db2.gz QIMQKKKTUWCECT-INIZCTEOSA-N 1 2 370.501 2.371 10 0 FEAELO CCc1nc2n(n1)C[C@@H](NC(=O)NCCC[N@H+](CC)c1ccccc1)CC2 ZINC000114916735 543544311 /nfs/dbraw/zinc/54/43/11/543544311.db2.gz QIMQKKKTUWCECT-INIZCTEOSA-N 1 2 370.501 2.371 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCc2cccc(F)c2)CC1 ZINC000115645731 543579348 /nfs/dbraw/zinc/57/93/48/543579348.db2.gz PAIXWWIPMNNUBO-UHFFFAOYSA-N 1 2 373.476 2.246 10 0 FEAELO C[C@@H](CNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1)[NH+]1CCOCC1 ZINC000115796686 543586349 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CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C[C@@H]1CC ZINC000116899290 543619351 /nfs/dbraw/zinc/61/93/51/543619351.db2.gz OMHJMQYOOVYUCC-KRWDZBQOSA-N 1 2 368.499 2.011 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C[C@@H]1CC ZINC000116899290 543619354 /nfs/dbraw/zinc/61/93/54/543619354.db2.gz OMHJMQYOOVYUCC-KRWDZBQOSA-N 1 2 368.499 2.011 10 0 FEAELO C[C@H](CNC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)[NH+]1CCOCC1 ZINC000125116930 543861726 /nfs/dbraw/zinc/86/17/26/543861726.db2.gz ULXHOGCJFLQTJM-BEFAXECRSA-N 1 2 372.444 2.330 10 0 FEAELO CCOc1ccc(C2=CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000126998166 543967787 /nfs/dbraw/zinc/96/77/87/543967787.db2.gz MHMOPPFUWNFOGR-IBGZPJMESA-N 1 2 359.470 2.215 10 0 FEAELO CCOc1ccc(C2=CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000126998166 543967791 /nfs/dbraw/zinc/96/77/91/543967791.db2.gz MHMOPPFUWNFOGR-IBGZPJMESA-N 1 2 359.470 2.215 10 0 FEAELO Cc1ccc([C@@H](C)NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000133639839 544278133 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CC[C@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC[N@H+]1CCOC ZINC000152486309 544659799 /nfs/dbraw/zinc/65/97/99/544659799.db2.gz KURXYSJYNRRGSR-INIZCTEOSA-N 1 2 372.469 2.268 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2cccc(O)c2)nc[nH+]1 ZINC000154852587 544956995 /nfs/dbraw/zinc/95/69/95/544956995.db2.gz PVQNOTYQLXWFFD-MVGZEHJDSA-N 1 2 353.426 2.022 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2cccc(O)c2)[nH+]cn1 ZINC000154852587 544957000 /nfs/dbraw/zinc/95/70/00/544957000.db2.gz PVQNOTYQLXWFFD-MVGZEHJDSA-N 1 2 353.426 2.022 10 0 FEAELO Cc1ncc(CN2CC[NH+](C[C@H](O)COc3cccc(C)c3)CC2)s1 ZINC000155065396 544984586 /nfs/dbraw/zinc/98/45/86/544984586.db2.gz XMELPTBYFKNXEG-KRWDZBQOSA-N 1 2 361.511 2.317 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C[C@H](O)COc3cccc(C)c3)CC2)s1 ZINC000155065396 544984588 /nfs/dbraw/zinc/98/45/88/544984588.db2.gz XMELPTBYFKNXEG-KRWDZBQOSA-N 1 2 361.511 2.317 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2O)C[C@@H]1[NH+]1CCOCC1 ZINC000180612200 327693730 /nfs/dbraw/zinc/69/37/30/327693730.db2.gz VIUHNFMBSIJJBQ-FZMZJTMJSA-N 1 2 358.360 2.204 10 0 FEAELO CCC[C@H]1C[C@H](C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCO1 ZINC000183804106 327836894 /nfs/dbraw/zinc/83/68/94/327836894.db2.gz IQNUEDJVBHDMGR-MSOLQXFVSA-N 1 2 362.518 2.276 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000189345448 328142078 /nfs/dbraw/zinc/14/20/78/328142078.db2.gz RYWIAZSHYYHWCK-BPQIPLTHSA-N 1 2 361.442 2.197 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](O)COc2cc(C)cc(C)c2)C1 ZINC000189345448 328142079 /nfs/dbraw/zinc/14/20/79/328142079.db2.gz RYWIAZSHYYHWCK-BPQIPLTHSA-N 1 2 361.442 2.197 10 0 FEAELO CCOc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1Br ZINC000189485179 328151016 /nfs/dbraw/zinc/15/10/16/328151016.db2.gz BBXPOFPCXVLLFN-GFCCVEGCSA-N 1 2 372.263 2.300 10 0 FEAELO CCOc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1Br ZINC000189485179 328151018 /nfs/dbraw/zinc/15/10/18/328151018.db2.gz BBXPOFPCXVLLFN-GFCCVEGCSA-N 1 2 372.263 2.300 10 0 FEAELO Cn1ccc2cccc(NC(=O)C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c21 ZINC000190616644 328219951 /nfs/dbraw/zinc/21/99/51/328219951.db2.gz KTXLTMYTUADJNY-OAHLLOKOSA-N 1 2 351.410 2.005 10 0 FEAELO COc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(OCCC(C)C)c1 ZINC000190746561 328229840 /nfs/dbraw/zinc/22/98/40/328229840.db2.gz RFFIHBBOKMOKMZ-INIZCTEOSA-N 1 2 350.459 2.181 10 0 FEAELO COc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(OCCC(C)C)c1 ZINC000190746561 328229841 /nfs/dbraw/zinc/22/98/41/328229841.db2.gz RFFIHBBOKMOKMZ-INIZCTEOSA-N 1 2 350.459 2.181 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](Cc3cc(OC)c4c(c3)OCCO4)CCO2)cn1 ZINC000191696741 328277768 /nfs/dbraw/zinc/27/77/68/328277768.db2.gz DHNZVALZLBPFAU-SFHVURJKSA-N 1 2 359.426 2.256 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(OC)c4c(c3)OCCO4)CCO2)cn1 ZINC000191696741 328277769 /nfs/dbraw/zinc/27/77/69/328277769.db2.gz DHNZVALZLBPFAU-SFHVURJKSA-N 1 2 359.426 2.256 10 0 FEAELO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191738747 328279387 /nfs/dbraw/zinc/27/93/87/328279387.db2.gz ARHBOIMXKPFKPX-HOTGVXAUSA-N 1 2 361.486 2.042 10 0 FEAELO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191738747 328279388 /nfs/dbraw/zinc/27/93/88/328279388.db2.gz ARHBOIMXKPFKPX-HOTGVXAUSA-N 1 2 361.486 2.042 10 0 FEAELO O=C(c1ccoc1Cl)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000192425370 328318457 /nfs/dbraw/zinc/31/84/57/328318457.db2.gz KSNMDDYLYZZUPK-AWEZNQCLSA-N 1 2 364.829 2.131 10 0 FEAELO Cc1ccc([C@H](CNC(=O)[C@@H]2CCOC[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000192622621 328328949 /nfs/dbraw/zinc/32/89/49/328328949.db2.gz CJVUGXPMMNRUJA-IMJJTQAJSA-N 1 2 352.500 2.219 10 0 FEAELO Cc1c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)nnn1Cc1ccc(F)cc1 ZINC000192685817 328332986 /nfs/dbraw/zinc/33/29/86/328332986.db2.gz VTOAUGGRTCYCIJ-QGZVFWFLSA-N 1 2 368.416 2.275 10 0 FEAELO Cc1cc(C)nc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000193794691 328395978 /nfs/dbraw/zinc/39/59/78/328395978.db2.gz ACXXXNBMNULZHL-UHFFFAOYSA-N 1 2 355.442 2.079 10 0 FEAELO Cc1csc([C@H]2CN(C(=O)NCc3ccc[nH+]c3N(C)C)CCO2)n1 ZINC000194049883 328408723 /nfs/dbraw/zinc/40/87/23/328408723.db2.gz UKHRZPQDXARGLP-CQSZACIVSA-N 1 2 361.471 2.196 10 0 FEAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000088213262 325286784 /nfs/dbraw/zinc/28/67/84/325286784.db2.gz CWAQTYGHBAVDCP-BHIYHBOVSA-N 1 2 361.530 2.358 10 0 FEAELO CN(c1cccnn1)C1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112345315 325773483 /nfs/dbraw/zinc/77/34/83/325773483.db2.gz MDAPVMQGZUVFHP-SFHVURJKSA-N 1 2 369.444 2.322 10 0 FEAELO O=C(Nc1ccccc1F)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117399867 326060088 /nfs/dbraw/zinc/06/00/88/326060088.db2.gz OJWGPTGOUPVGSP-MRXNPFEDSA-N 1 2 373.428 2.415 10 0 FEAELO Cc1cnn(CCNC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)c1 ZINC000118058343 326078158 /nfs/dbraw/zinc/07/81/58/326078158.db2.gz RDAPYLJBRFJMKK-UHFFFAOYSA-N 1 2 356.474 2.322 10 0 FEAELO C[C@@H](NC[C@@H]1C[N@H+](C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322359 326149587 /nfs/dbraw/zinc/14/95/87/326149587.db2.gz IPSLUOISUROMOH-IUODEOHRSA-N 1 2 350.850 2.295 10 0 FEAELO C[C@@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322359 326149588 /nfs/dbraw/zinc/14/95/88/326149588.db2.gz IPSLUOISUROMOH-IUODEOHRSA-N 1 2 350.850 2.295 10 0 FEAELO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322359 326149590 /nfs/dbraw/zinc/14/95/90/326149590.db2.gz IPSLUOISUROMOH-IUODEOHRSA-N 1 2 350.850 2.295 10 0 FEAELO CCS(=O)(=O)CCN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000120275608 326245854 /nfs/dbraw/zinc/24/58/54/326245854.db2.gz XIVSEVOWWBKTTQ-CQSZACIVSA-N 1 2 364.471 2.009 10 0 FEAELO CCOc1cc(Cl)ccc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000121347847 326331535 /nfs/dbraw/zinc/33/15/35/326331535.db2.gz WBGCQBQPAFRYPD-MRXNPFEDSA-N 1 2 367.877 2.355 10 0 FEAELO CCOC(=O)c1ccc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)o1 ZINC000121464472 326340575 /nfs/dbraw/zinc/34/05/75/326340575.db2.gz TVXBXTXCMPFUGA-UHFFFAOYSA-N 1 2 360.458 2.124 10 0 FEAELO CCc1nn(C)c(CC)c1CN1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000121654983 326355199 /nfs/dbraw/zinc/35/51/99/326355199.db2.gz MWKQJHLLHCRCBB-UHFFFAOYSA-N 1 2 358.534 2.469 10 0 FEAELO CCc1nn(C)c(CC)c1CN1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000121654983 326355200 /nfs/dbraw/zinc/35/52/00/326355200.db2.gz MWKQJHLLHCRCBB-UHFFFAOYSA-N 1 2 358.534 2.469 10 0 FEAELO COc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1OC(F)F ZINC000122244987 326389450 /nfs/dbraw/zinc/38/94/50/326389450.db2.gz MYGQMLDVXDKSOS-AWEZNQCLSA-N 1 2 353.369 2.394 10 0 FEAELO COc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1OC(F)F ZINC000122244987 326389452 /nfs/dbraw/zinc/38/94/52/326389452.db2.gz MYGQMLDVXDKSOS-AWEZNQCLSA-N 1 2 353.369 2.394 10 0 FEAELO C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000128151992 326518728 /nfs/dbraw/zinc/51/87/28/326518728.db2.gz VCBOSMIJOAJRQN-BBRMVZONSA-N 1 2 374.403 2.008 10 0 FEAELO COCc1ccccc1CNC(=O)C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000131236693 326570622 /nfs/dbraw/zinc/57/06/22/326570622.db2.gz YIROVBYFQKZJEV-VWLOTQADSA-N 1 2 363.483 2.176 10 0 FEAELO O=C(NCCn1cc[nH+]c1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000132139123 326587817 /nfs/dbraw/zinc/58/78/17/326587817.db2.gz LQEKRPJICSFYEU-LSDHHAIUSA-N 1 2 368.359 2.419 10 0 FEAELO CCn1cc(C2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)cn1 ZINC000153165140 326725813 /nfs/dbraw/zinc/72/58/13/326725813.db2.gz UGHOXBFICHKIKV-SFHVURJKSA-N 1 2 368.485 2.466 10 0 FEAELO Cc1cnn(-c2ccc(C)cc2NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000158461835 326896552 /nfs/dbraw/zinc/89/65/52/326896552.db2.gz LAYUQJCJPWJNHU-MRXNPFEDSA-N 1 2 357.458 2.331 10 0 FEAELO COCCC1(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000162179189 327018969 /nfs/dbraw/zinc/01/89/69/327018969.db2.gz OLDAJZWIXGHPNU-HNNXBMFYSA-N 1 2 352.500 2.397 10 0 FEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000163245548 327046989 /nfs/dbraw/zinc/04/69/89/327046989.db2.gz GJRPWUDAOMSZPS-UZLBHIALSA-N 1 2 358.486 2.387 10 0 FEAELO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1OCC(=O)N(C)C ZINC000164760219 327074043 /nfs/dbraw/zinc/07/40/43/327074043.db2.gz GNZNJFLRLZZQKQ-HZPDHXFCSA-N 1 2 357.458 2.321 10 0 FEAELO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1OCC(=O)N(C)C ZINC000164760309 327074074 /nfs/dbraw/zinc/07/40/74/327074074.db2.gz GNZNJFLRLZZQKQ-HOTGVXAUSA-N 1 2 357.458 2.321 10 0 FEAELO CCN(C(C)=O)c1nc(C[N@@H+]2CCCN(c3cccnn3)CC2)cs1 ZINC000170938934 327108369 /nfs/dbraw/zinc/10/83/69/327108369.db2.gz LHOLTSHONHGWEJ-UHFFFAOYSA-N 1 2 360.487 2.018 10 0 FEAELO CCN(C(C)=O)c1nc(C[N@H+]2CCCN(c3cccnn3)CC2)cs1 ZINC000170938934 327108370 /nfs/dbraw/zinc/10/83/70/327108370.db2.gz LHOLTSHONHGWEJ-UHFFFAOYSA-N 1 2 360.487 2.018 10 0 FEAELO CCCN(CCC)C(=O)c1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171294653 327130356 /nfs/dbraw/zinc/13/03/56/327130356.db2.gz COFZPTWZIIFCKZ-GOSISDBHSA-N 1 2 361.486 2.009 10 0 FEAELO CCCN(CCC)C(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000171294653 327130358 /nfs/dbraw/zinc/13/03/58/327130358.db2.gz COFZPTWZIIFCKZ-GOSISDBHSA-N 1 2 361.486 2.009 10 0 FEAELO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171294642 327130408 /nfs/dbraw/zinc/13/04/08/327130408.db2.gz VRRYTZYOEHAIMS-MAUKXSAKSA-N 1 2 369.465 2.291 10 0 FEAELO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171294642 327130410 /nfs/dbraw/zinc/13/04/10/327130410.db2.gz VRRYTZYOEHAIMS-MAUKXSAKSA-N 1 2 369.465 2.291 10 0 FEAELO Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)no1 ZINC000171335757 327132759 /nfs/dbraw/zinc/13/27/59/327132759.db2.gz ZFOJDKDAGIYYFX-CQSZACIVSA-N 1 2 352.398 2.054 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000171352159 327134219 /nfs/dbraw/zinc/13/42/19/327134219.db2.gz IBQOWKNSWNAUEK-HOCLYGCPSA-N 1 2 360.458 2.104 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000171352159 327134221 /nfs/dbraw/zinc/13/42/21/327134221.db2.gz IBQOWKNSWNAUEK-HOCLYGCPSA-N 1 2 360.458 2.104 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCc2ccccc2C)CC1 ZINC000172043996 327177601 /nfs/dbraw/zinc/17/76/01/327177601.db2.gz MCNAWYPJYIIJLH-UHFFFAOYSA-N 1 2 369.513 2.415 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C[C@H]1CC ZINC000172299831 327193901 /nfs/dbraw/zinc/19/39/01/327193901.db2.gz DEGRMGJVUHIDLH-CJAUYULYSA-N 1 2 366.527 2.138 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C[C@H]1CC ZINC000172299831 327193902 /nfs/dbraw/zinc/19/39/02/327193902.db2.gz DEGRMGJVUHIDLH-CJAUYULYSA-N 1 2 366.527 2.138 10 0 FEAELO O=C(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756487 327217227 /nfs/dbraw/zinc/21/72/27/327217227.db2.gz RCFUTSBUIPVBDC-CQSZACIVSA-N 1 2 358.360 2.061 10 0 FEAELO O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761035 327217614 /nfs/dbraw/zinc/21/76/14/327217614.db2.gz PIIVTUAPAUVXRM-OAHLLOKOSA-N 1 2 358.467 2.082 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C)c2Cl)C[C@H]1C ZINC000173175520 327238980 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2.175 10 0 FEAELO O=C(NC1CC1)c1noc([C@@H]2CCC[N@H+]2Cc2ccc3c[nH]nc3c2)n1 ZINC000328651027 553802345 /nfs/dbraw/zinc/80/23/45/553802345.db2.gz VTUDQFZLZPFDKJ-HNNXBMFYSA-N 1 2 352.398 2.175 10 0 FEAELO Cc1c(Cl)c(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)nn1C ZINC000421875385 559555230 /nfs/dbraw/zinc/55/52/30/559555230.db2.gz PUYCQKUPHVHUPF-GFCCVEGCSA-N 1 2 363.849 2.136 10 0 FEAELO O=C(C[C@H]1CCCCC(=O)N1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000427107601 559747961 /nfs/dbraw/zinc/74/79/61/559747961.db2.gz ITCAGBMBCOCDPT-WMHRWZGDSA-N 1 2 355.482 2.293 10 0 FEAELO COc1ccc(CC(=O)N2CCCC[C@@H]2c2nnc(C[NH+](C)C)o2)cc1 ZINC000583621888 570811412 /nfs/dbraw/zinc/81/14/12/570811412.db2.gz LDTBOMCPUAMVOK-MRXNPFEDSA-N 1 2 358.442 2.436 10 0 FEAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000056316946 670362144 /nfs/dbraw/zinc/36/21/44/670362144.db2.gz NUIBPWULGVRMAA-XHSDSOJGSA-N 1 2 353.507 2.480 10 0 FEAELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000056316946 670362148 /nfs/dbraw/zinc/36/21/48/670362148.db2.gz NUIBPWULGVRMAA-XHSDSOJGSA-N 1 2 353.507 2.480 10 0 FEAELO C[C@H](C[NH+]1CCOCC1)OC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000181657296 672429078 /nfs/dbraw/zinc/42/90/78/672429078.db2.gz BABAQGRGGFSCRH-CQSZACIVSA-N 1 2 351.403 2.051 10 0 FEAELO CNC(=O)[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)C(C)C ZINC000183639629 672474994 /nfs/dbraw/zinc/47/49/94/672474994.db2.gz VKTNLTMHEADFOZ-CYBMUJFWSA-N 1 2 367.247 2.359 10 0 FEAELO C[C@@H]1C[C@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000183742011 672478755 /nfs/dbraw/zinc/47/87/55/672478755.db2.gz WUHNLXOTGHDSFW-CABCVRRESA-N 1 2 358.548 2.074 10 0 FEAELO C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000184760977 672506657 /nfs/dbraw/zinc/50/66/57/672506657.db2.gz YVXLQGCRQPAAEJ-SRXBQZRASA-N 1 2 373.280 2.206 10 0 FEAELO O=C(c1ccc(OC(F)(F)Cl)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192899388 672705847 /nfs/dbraw/zinc/70/58/47/672705847.db2.gz AAIXJGTVLKHXMX-ZDUSSCGKSA-N 1 2 360.788 2.401 10 0 FEAELO C[C@H]([NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ncc(Br)cc1F ZINC000886097052 688202097 /nfs/dbraw/zinc/20/20/97/688202097.db2.gz KHKOFUGUZNMTKQ-HDRXNWCYSA-N 1 2 355.211 2.205 10 0 FEAELO COC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000888893626 688695395 /nfs/dbraw/zinc/69/53/95/688695395.db2.gz KTHOTJJGQLFKTO-ZYHUDNBSSA-N 1 2 364.427 2.310 10 0 FEAELO COC(=O)[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[NH2+]1 ZINC000015446328 539618051 /nfs/dbraw/zinc/61/80/51/539618051.db2.gz XFFQPNYZCFFNFT-DJJJIMSYSA-N 1 2 366.417 2.429 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[NH+]1CCOCC1 ZINC000031125165 539899000 /nfs/dbraw/zinc/89/90/00/539899000.db2.gz VQEYRYZKXSCIKJ-GJZGRUSLSA-N 1 2 374.485 2.116 10 0 FEAELO C[C@@H](CNC(=O)N[C@H]1CCOc2c(Cl)cccc21)[NH+]1CCOCC1 ZINC000056805542 540747244 /nfs/dbraw/zinc/74/72/44/540747244.db2.gz AGSSTOPKXUQJPN-WFASDCNBSA-N 1 2 353.850 2.184 10 0 FEAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCN(c2ccccc2F)CC1 ZINC000070693673 541737440 /nfs/dbraw/zinc/73/74/40/541737440.db2.gz DOEPRYBLALVAQF-OALUTQOASA-N 1 2 361.461 2.118 10 0 FEAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCN(c2ccccc2F)CC1 ZINC000070693673 541737444 /nfs/dbraw/zinc/73/74/44/541737444.db2.gz DOEPRYBLALVAQF-OALUTQOASA-N 1 2 361.461 2.118 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000072558479 541832073 /nfs/dbraw/zinc/83/20/73/541832073.db2.gz TZJUQOPJWRVWHN-MRXNPFEDSA-N 1 2 372.494 2.377 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000072558479 541832077 /nfs/dbraw/zinc/83/20/77/541832077.db2.gz TZJUQOPJWRVWHN-MRXNPFEDSA-N 1 2 372.494 2.377 10 0 FEAELO COCCN(CCOC)c1[nH+]cnc(Nc2cc(C)ccc2OC)c1N ZINC000040684232 205075656 /nfs/dbraw/zinc/07/56/56/205075656.db2.gz PZWYWBNYFXVMFS-UHFFFAOYSA-N 1 2 361.446 2.219 10 0 FEAELO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)N(c4ccccn4)C[C@H]3C2)cc1 ZINC000085436160 205170405 /nfs/dbraw/zinc/17/04/05/205170405.db2.gz ZFAGMLUUMCQCHV-GOSISDBHSA-N 1 2 365.437 2.166 10 0 FEAELO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)N(c4ccccn4)C[C@H]3C2)cc1 ZINC000085436160 205170408 /nfs/dbraw/zinc/17/04/08/205170408.db2.gz ZFAGMLUUMCQCHV-GOSISDBHSA-N 1 2 365.437 2.166 10 0 FEAELO COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccncc4)CCN3C2=O)cc1 ZINC000085436192 205170520 /nfs/dbraw/zinc/17/05/20/205170520.db2.gz MTEDZTJHLXMCFV-GOSISDBHSA-N 1 2 352.438 2.212 10 0 FEAELO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccncc4)CCN3C2=O)cc1 ZINC000085436192 205170523 /nfs/dbraw/zinc/17/05/23/205170523.db2.gz MTEDZTJHLXMCFV-GOSISDBHSA-N 1 2 352.438 2.212 10 0 FEAELO CC1CCN(c2[nH+]cnc3c2cnn3CC(=O)NCc2ccccc2)CC1 ZINC000065295491 205336118 /nfs/dbraw/zinc/33/61/18/205336118.db2.gz AVQVNNITHNKRQM-UHFFFAOYSA-N 1 2 364.453 2.379 10 0 FEAELO CC(C)[N@@H+]1CCn2nc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2C1 ZINC000065410148 205348317 /nfs/dbraw/zinc/34/83/17/205348317.db2.gz YTZSFBJBGWBFFO-QGZVFWFLSA-N 1 2 354.454 2.183 10 0 FEAELO CC(C)[N@H+]1CCn2nc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2C1 ZINC000065410148 205348321 /nfs/dbraw/zinc/34/83/21/205348321.db2.gz YTZSFBJBGWBFFO-QGZVFWFLSA-N 1 2 354.454 2.183 10 0 FEAELO Cc1ccccc1NC(=O)Nc1c[nH+]c(N2CCOCC2)nc1N(C)C ZINC000224148507 132281541 /nfs/dbraw/zinc/28/15/41/132281541.db2.gz XFIJOUWLWYERSX-UHFFFAOYSA-N 1 2 356.430 2.332 10 0 FEAELO CCNC(=O)[C@@H]1C[C@H](Nc2nnc(C(C)C)s2)C[N@@H+]1Cc1ccncc1 ZINC000097785350 543017277 /nfs/dbraw/zinc/01/72/77/543017277.db2.gz ULWVDBLSLVINTJ-GJZGRUSLSA-N 1 2 374.514 2.248 10 0 FEAELO CCNC(=O)[C@@H]1C[C@H](Nc2nnc(C(C)C)s2)C[N@H+]1Cc1ccncc1 ZINC000097785350 543017280 /nfs/dbraw/zinc/01/72/80/543017280.db2.gz ULWVDBLSLVINTJ-GJZGRUSLSA-N 1 2 374.514 2.248 10 0 FEAELO COc1ccccc1C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000104797860 543145084 /nfs/dbraw/zinc/14/50/84/543145084.db2.gz NYPAYBNTDYQVJQ-MRXNPFEDSA-N 1 2 361.486 2.137 10 0 FEAELO COc1ccccc1C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000104797860 543145086 /nfs/dbraw/zinc/14/50/86/543145086.db2.gz NYPAYBNTDYQVJQ-MRXNPFEDSA-N 1 2 361.486 2.137 10 0 FEAELO C[C@@H](CNC(=O)N1CCn2cccc2[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000105124273 543161265 /nfs/dbraw/zinc/16/12/65/543161265.db2.gz POQZYONOJILATG-FXAWDEMLSA-N 1 2 368.481 2.323 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)NCc3ccc(F)cc3)CC2)s1 ZINC000106091735 543194579 /nfs/dbraw/zinc/19/45/79/543194579.db2.gz YBTNYYVRWCXTCZ-UHFFFAOYSA-N 1 2 362.474 2.025 10 0 FEAELO CCc1noc([C@H](C)N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)n1 ZINC000106136534 543206817 /nfs/dbraw/zinc/20/68/17/543206817.db2.gz WDEPOPYEAYWAFY-LBPRGKRZSA-N 1 2 372.395 2.270 10 0 FEAELO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141419 543207683 /nfs/dbraw/zinc/20/76/83/543207683.db2.gz XKGRZEXZRIGSRR-KRWDZBQOSA-N 1 2 369.513 2.293 10 0 FEAELO Cn1cc(CN2CCC[N@H+](Cc3nc(-c4ccc(F)cc4)no3)CC2)cn1 ZINC000106157982 543209964 /nfs/dbraw/zinc/20/99/64/543209964.db2.gz ZUSYHDMCFQSXRP-UHFFFAOYSA-N 1 2 370.432 2.317 10 0 FEAELO Cn1cc(CN2CCC[N@@H+](Cc3nc(-c4ccc(F)cc4)no3)CC2)cn1 ZINC000106157982 543209965 /nfs/dbraw/zinc/20/99/65/543209965.db2.gz ZUSYHDMCFQSXRP-UHFFFAOYSA-N 1 2 370.432 2.317 10 0 FEAELO CCN(C(=O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1)[C@H](C)c1ccc(F)cc1 ZINC000106189918 543215380 /nfs/dbraw/zinc/21/53/80/543215380.db2.gz ZXSZGFJKYCBFKO-APWZRJJASA-N 1 2 374.460 2.333 10 0 FEAELO CCN(C(=O)C[N@H+]1CCO[C@H](Cn2cccn2)C1)[C@H](C)c1ccc(F)cc1 ZINC000106189918 543215381 /nfs/dbraw/zinc/21/53/81/543215381.db2.gz ZXSZGFJKYCBFKO-APWZRJJASA-N 1 2 374.460 2.333 10 0 FEAELO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000106192142 543215528 /nfs/dbraw/zinc/21/55/28/543215528.db2.gz XEPQFXYEJYZYHS-LJQANCHMSA-N 1 2 370.497 2.411 10 0 FEAELO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000106192142 543215531 /nfs/dbraw/zinc/21/55/31/543215531.db2.gz XEPQFXYEJYZYHS-LJQANCHMSA-N 1 2 370.497 2.411 10 0 FEAELO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000106196072 543215878 /nfs/dbraw/zinc/21/58/78/543215878.db2.gz RALFZNBFHINMLD-LJQANCHMSA-N 1 2 370.453 2.124 10 0 FEAELO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000106196072 543215881 /nfs/dbraw/zinc/21/58/81/543215881.db2.gz RALFZNBFHINMLD-LJQANCHMSA-N 1 2 370.453 2.124 10 0 FEAELO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106903206 543253889 /nfs/dbraw/zinc/25/38/89/543253889.db2.gz YSSYOXMJIRPPTC-OAHLLOKOSA-N 1 2 370.478 2.116 10 0 FEAELO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074098 543261224 /nfs/dbraw/zinc/26/12/24/543261224.db2.gz LETITTIGOHNEQO-ZBFHGGJFSA-N 1 2 352.431 2.233 10 0 FEAELO O[C@@H](COCc1ccccc1F)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000107074098 543261228 /nfs/dbraw/zinc/26/12/28/543261228.db2.gz LETITTIGOHNEQO-ZBFHGGJFSA-N 1 2 352.431 2.233 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000107075556 543261309 /nfs/dbraw/zinc/26/13/09/543261309.db2.gz XUAMFNYPQGCWGO-ZDUSSCGKSA-N 1 2 367.446 2.223 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cn1 ZINC000109661662 543333631 /nfs/dbraw/zinc/33/36/31/543333631.db2.gz HWIZRJIIUIVZHW-QGZVFWFLSA-N 1 2 356.470 2.405 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cn1 ZINC000109661662 543333635 /nfs/dbraw/zinc/33/36/35/543333635.db2.gz HWIZRJIIUIVZHW-QGZVFWFLSA-N 1 2 356.470 2.405 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2cccc(Cn3cccn3)c2)[nH+]cn1 ZINC000110254833 543353575 /nfs/dbraw/zinc/35/35/75/543353575.db2.gz AWOZDSGLYDLJKX-GOSISDBHSA-N 1 2 364.453 2.295 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2cccc(Cn3cccn3)c2)nc[nH+]1 ZINC000110254833 543353579 /nfs/dbraw/zinc/35/35/79/543353579.db2.gz AWOZDSGLYDLJKX-GOSISDBHSA-N 1 2 364.453 2.295 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3c(C)noc3Cl)CC2)s1 ZINC000110944033 543374624 /nfs/dbraw/zinc/37/46/24/543374624.db2.gz JEWXRUNYDVGXML-UHFFFAOYSA-N 1 2 354.863 2.288 10 0 FEAELO COc1ccccc1OCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000110945102 543374641 /nfs/dbraw/zinc/37/46/41/543374641.db2.gz VDWBQRRPPFNVRC-UHFFFAOYSA-N 1 2 361.467 2.183 10 0 FEAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CCc3ccccn3)CC2)cn1 ZINC000113859051 543497222 /nfs/dbraw/zinc/49/72/22/543497222.db2.gz HALGJNBHTVZFNO-UHFFFAOYSA-N 1 2 355.486 2.310 10 0 FEAELO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114484674 543520444 /nfs/dbraw/zinc/52/04/44/543520444.db2.gz MBUIHJCOWCNNCP-MRXNPFEDSA-N 1 2 357.414 2.294 10 0 FEAELO COc1ccc(NC(=O)NC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114484674 543520446 /nfs/dbraw/zinc/52/04/46/543520446.db2.gz MBUIHJCOWCNNCP-MRXNPFEDSA-N 1 2 357.414 2.294 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(OC)ccn3)CC2)cn1 ZINC000116193712 543604087 /nfs/dbraw/zinc/60/40/87/543604087.db2.gz WDDVYPCGBCHQFI-UHFFFAOYSA-N 1 2 357.458 2.045 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(OC)ccn3)CC2)cn1 ZINC000116193712 543604089 /nfs/dbraw/zinc/60/40/89/543604089.db2.gz WDDVYPCGBCHQFI-UHFFFAOYSA-N 1 2 357.458 2.045 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000117370200 543630556 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CCn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)cn1 ZINC000190807462 328233583 /nfs/dbraw/zinc/23/35/83/328233583.db2.gz GZSRWYHKXRFTDE-KRWDZBQOSA-N 1 2 361.421 2.026 10 0 FEAELO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000193357356 328370522 /nfs/dbraw/zinc/37/05/22/328370522.db2.gz UZQWTRMLQOCGEN-HIFRSBDPSA-N 1 2 350.463 2.162 10 0 FEAELO COC[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000194194075 328414830 /nfs/dbraw/zinc/41/48/30/328414830.db2.gz KCCFQVUBVOHNKL-BBRMVZONSA-N 1 2 355.866 2.047 10 0 FEAELO CC(C)[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1nc2ccccc2[nH]1 ZINC000043105436 324539191 /nfs/dbraw/zinc/53/91/91/324539191.db2.gz RQTLPDTWQREQCI-PBHICJAKSA-N 1 2 359.474 2.280 10 0 FEAELO C[C@H](CNC(=O)c1ccc(OCc2ccccc2)nc1)[NH+]1CCOCC1 ZINC000195473596 328479322 /nfs/dbraw/zinc/47/93/22/328479322.db2.gz DKHUQUSQTQBRSN-MRXNPFEDSA-N 1 2 355.438 2.111 10 0 FEAELO C[C@H](CNC(=O)CS[C@H](C)c1nc2ccccc2[nH]1)[NH+]1CCOCC1 ZINC000078445219 325046469 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COC(=O)c1cccc2nc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)[nH]c21 ZINC000162488363 327026969 /nfs/dbraw/zinc/02/69/69/327026969.db2.gz UHYVGKZUNDWMQS-INIZCTEOSA-N 1 2 366.421 2.461 10 0 FEAELO Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000171674617 327154306 /nfs/dbraw/zinc/15/43/06/327154306.db2.gz BSBUJVHYDITDTI-OAHLLOKOSA-N 1 2 363.483 2.392 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)s1 ZINC000171863201 327166388 /nfs/dbraw/zinc/16/63/88/327166388.db2.gz JWGCKLLZWRNRJO-INIZCTEOSA-N 1 2 357.479 2.347 10 0 FEAELO Cc1nc(CN2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cs1 ZINC000171929859 327170999 /nfs/dbraw/zinc/17/09/99/327170999.db2.gz YJANZILNKAQQKF-UHFFFAOYSA-N 1 2 355.467 2.447 10 0 FEAELO COc1ccccc1CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000172044140 327177471 /nfs/dbraw/zinc/17/74/71/327177471.db2.gz KFXMROOOMCYTAY-UHFFFAOYSA-N 1 2 371.485 2.073 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Cc2ccccc2)nc[nH+]1 ZINC000173412298 327254502 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CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2C(C)=O)[nH+]cn1 ZINC000173419079 327255053 /nfs/dbraw/zinc/25/50/53/327255053.db2.gz CSFFNDPNSAPRNG-CQSZACIVSA-N 1 2 353.426 2.120 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2cccc(F)c2)nc[nH+]1 ZINC000173422103 327255611 /nfs/dbraw/zinc/25/56/11/327255611.db2.gz ZLIBTSHHYDNZDQ-INIZCTEOSA-N 1 2 372.448 2.468 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2cccc(F)c2)[nH+]cn1 ZINC000173422103 327255612 /nfs/dbraw/zinc/25/56/12/327255612.db2.gz ZLIBTSHHYDNZDQ-INIZCTEOSA-N 1 2 372.448 2.468 10 0 FEAELO CN(CCCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173790301 327284434 /nfs/dbraw/zinc/28/44/34/327284434.db2.gz VNAWGWLIUMDUKW-LJQANCHMSA-N 1 2 360.502 2.019 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000173825077 327286972 /nfs/dbraw/zinc/28/69/72/327286972.db2.gz NTKFUIDDEUETKD-ZIFCJYIRSA-N 1 2 374.481 2.037 10 0 FEAELO C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173842146 327288359 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FEAELO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173936012 327295769 /nfs/dbraw/zinc/29/57/69/327295769.db2.gz SREPLOGUODKJDU-INIZCTEOSA-N 1 2 373.478 2.445 10 0 FEAELO C[C@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173942765 327296582 /nfs/dbraw/zinc/29/65/82/327296582.db2.gz CSAMGQSCHDATFW-LBPRGKRZSA-N 1 2 360.373 2.247 10 0 FEAELO O=C(Nc1cnc(-c2ccccc2)nc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173977429 327299490 /nfs/dbraw/zinc/29/94/90/327299490.db2.gz NJKXGENZMMZSFR-QGZVFWFLSA-N 1 2 353.426 2.082 10 0 FEAELO C[C@H](NC(=O)NCC(=O)Nc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174210645 327313317 /nfs/dbraw/zinc/31/33/17/327313317.db2.gz QFUPAXXRHRJUNK-AWEZNQCLSA-N 1 2 364.409 2.266 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000174342413 327321199 /nfs/dbraw/zinc/32/11/99/327321199.db2.gz MSIWRYAHMPOIMZ-PXNSSMCTSA-N 1 2 357.498 2.470 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(O)c(Cl)c2)nc[nH+]1 ZINC000174745045 327347843 /nfs/dbraw/zinc/34/78/43/327347843.db2.gz DAGBKXMQKDVXDG-GFCCVEGCSA-N 1 2 361.833 2.276 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(O)c(Cl)c2)[nH+]cn1 ZINC000174745045 327347844 /nfs/dbraw/zinc/34/78/44/327347844.db2.gz DAGBKXMQKDVXDG-GFCCVEGCSA-N 1 2 361.833 2.276 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)ccc2O)nc[nH+]1 ZINC000174742532 327347927 /nfs/dbraw/zinc/34/79/27/327347927.db2.gz ZNHMRPNOJINHHR-LBPRGKRZSA-N 1 2 361.833 2.276 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Cl)ccc2O)[nH+]cn1 ZINC000174742532 327347928 /nfs/dbraw/zinc/34/79/28/327347928.db2.gz ZNHMRPNOJINHHR-LBPRGKRZSA-N 1 2 361.833 2.276 10 0 FEAELO O=C(NCc1ccnc(N2CCCC2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177379604 327517898 /nfs/dbraw/zinc/51/78/98/327517898.db2.gz UUBGOUKODGCRLE-QGZVFWFLSA-N 1 2 354.458 2.253 10 0 FEAELO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000177586676 327532074 /nfs/dbraw/zinc/53/20/74/327532074.db2.gz LUTZLPOICLRZED-HNNXBMFYSA-N 1 2 370.434 2.052 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)s1 ZINC000247113898 328669133 /nfs/dbraw/zinc/66/91/33/328669133.db2.gz VURZJKSOMPPSIQ-BZUAXINKSA-N 1 2 364.515 2.092 10 0 FEAELO COc1cc(C)c(NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000276112225 330120579 /nfs/dbraw/zinc/12/05/79/330120579.db2.gz XPWWOSFDINGEHH-HNNXBMFYSA-N 1 2 361.421 2.397 10 0 FEAELO Cn1ccc(NC(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000275477089 527368545 /nfs/dbraw/zinc/36/85/45/527368545.db2.gz IRIHRKOVKBEYEE-AWEZNQCLSA-N 1 2 356.430 2.101 10 0 FEAELO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCC(C)=O)C2)CC1 ZINC000055119484 537069326 /nfs/dbraw/zinc/06/93/26/537069326.db2.gz KFMXQRMSOSEYKT-GOSISDBHSA-N 1 2 373.497 2.177 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CCO2)c1 ZINC000247567233 549358824 /nfs/dbraw/zinc/35/88/24/549358824.db2.gz GSIRDLBCHIYOLU-GJYPPUQNSA-N 1 2 374.460 2.297 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CCO2)c1 ZINC000247567233 549358825 /nfs/dbraw/zinc/35/88/25/549358825.db2.gz GSIRDLBCHIYOLU-GJYPPUQNSA-N 1 2 374.460 2.297 10 0 FEAELO CC(C)[C@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C(N)=O ZINC000172792809 546267417 /nfs/dbraw/zinc/26/74/17/546267417.db2.gz DUSRLQDSUAAQKT-FQEVSTJZSA-N 1 2 353.466 2.315 10 0 FEAELO COc1ccc([C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000173768194 546286473 /nfs/dbraw/zinc/28/64/73/546286473.db2.gz HUZKTMXBBQVGRT-HKUYNNGSSA-N 1 2 359.470 2.262 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc3[nH]ccc32)nc[nH+]1 ZINC000176476017 546451673 /nfs/dbraw/zinc/45/16/73/546451673.db2.gz KUBFUCUPQLHIFX-CYBMUJFWSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc3[nH]ccc32)[nH+]cn1 ZINC000176476017 546451675 /nfs/dbraw/zinc/45/16/75/546451675.db2.gz KUBFUCUPQLHIFX-CYBMUJFWSA-N 1 2 350.426 2.398 10 0 FEAELO O=C(c1cc(Cl)ccc1OC(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176493080 546453723 /nfs/dbraw/zinc/45/37/23/546453723.db2.gz DABDTMAEEZYHEC-GFCCVEGCSA-N 1 2 360.788 2.488 10 0 FEAELO COCCc1nsc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000176923927 546509509 /nfs/dbraw/zinc/50/95/09/546509509.db2.gz VNLVDQXDKMFTLI-CYBMUJFWSA-N 1 2 368.528 2.298 10 0 FEAELO Cc1nnc(S(=O)(=O)Cc2[nH+]ccn2C(C)C)n1Cc1ccccc1 ZINC000176945806 546512936 /nfs/dbraw/zinc/51/29/36/546512936.db2.gz WUNOSPNLGVDCKV-UHFFFAOYSA-N 1 2 359.455 2.386 10 0 FEAELO CCn1nc(C)c(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1C ZINC000179518237 546969860 /nfs/dbraw/zinc/96/98/60/546969860.db2.gz CZIFBLYQORTALY-SFHVURJKSA-N 1 2 371.485 2.403 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000180705819 547163439 /nfs/dbraw/zinc/16/34/39/547163439.db2.gz AXHPXBPUJVQYKX-IUODEOHRSA-N 1 2 353.850 2.184 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000180705819 547163445 /nfs/dbraw/zinc/16/34/45/547163445.db2.gz AXHPXBPUJVQYKX-IUODEOHRSA-N 1 2 353.850 2.184 10 0 FEAELO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181097299 547249546 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C[N@H+]1CCO[C@@H](CNC(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000125218436 543867723 /nfs/dbraw/zinc/86/77/23/543867723.db2.gz SXYXFUJVHBPPKA-LBPRGKRZSA-N 1 2 361.667 2.092 10 0 FEAELO C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000126340334 543930381 /nfs/dbraw/zinc/93/03/81/543930381.db2.gz RZRIDOFYTPLTKE-VKJFTORMSA-N 1 2 358.442 2.427 10 0 FEAELO COc1cccc(C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000127449523 543994150 /nfs/dbraw/zinc/99/41/50/543994150.db2.gz WNHWUHUVFFCMOX-KRWDZBQOSA-N 1 2 361.486 2.089 10 0 FEAELO COCc1ccccc1CNC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000131236902 544181619 /nfs/dbraw/zinc/18/16/19/544181619.db2.gz YIROVBYFQKZJEV-RUZDIDTESA-N 1 2 363.483 2.176 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000140415352 544408710 /nfs/dbraw/zinc/40/87/10/544408710.db2.gz SYUHZXBRQFIPSB-CXAGYDPISA-N 1 2 352.504 2.302 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000140415352 544408711 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CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000188455584 328088154 /nfs/dbraw/zinc/08/81/54/328088154.db2.gz CHMZJWBXJTXQBM-UONOGXRCSA-N 1 2 362.405 2.298 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000189320375 328140660 /nfs/dbraw/zinc/14/06/60/328140660.db2.gz OOLJFLMCZXHFRQ-YESZJQIVSA-N 1 2 361.442 2.197 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](O)COc2ccc(C)cc2C)C1 ZINC000189320375 328140661 /nfs/dbraw/zinc/14/06/61/328140661.db2.gz OOLJFLMCZXHFRQ-YESZJQIVSA-N 1 2 361.442 2.197 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000189452667 328149249 /nfs/dbraw/zinc/14/92/49/328149249.db2.gz FSAGSCDMRYPDGG-IAQYHMDHSA-N 1 2 358.360 2.204 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189491236 328151444 /nfs/dbraw/zinc/15/14/44/328151444.db2.gz QGBADTSVXDRGEP-HNNXBMFYSA-N 1 2 372.387 2.355 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189491236 328151445 /nfs/dbraw/zinc/15/14/45/328151445.db2.gz QGBADTSVXDRGEP-HNNXBMFYSA-N 1 2 372.387 2.355 10 0 FEAELO CO[C@H](C)[C@H](C)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000190236518 328196199 /nfs/dbraw/zinc/19/61/99/328196199.db2.gz CGLAJUFMRKHAJA-ZNMIVQPWSA-N 1 2 355.504 2.152 10 0 FEAELO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000191520513 328269508 /nfs/dbraw/zinc/26/95/08/328269508.db2.gz UMJBGKXXHJIPFU-UHFFFAOYSA-N 1 2 363.458 2.095 10 0 FEAELO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000191520513 328269510 /nfs/dbraw/zinc/26/95/10/328269510.db2.gz UMJBGKXXHJIPFU-UHFFFAOYSA-N 1 2 363.458 2.095 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192536218 328324444 /nfs/dbraw/zinc/32/44/44/328324444.db2.gz HNSCISVGNKZCPO-HUUCEWRRSA-N 1 2 353.825 2.137 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000192536218 328324445 /nfs/dbraw/zinc/32/44/45/328324445.db2.gz 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ZINC000081666220 325192294 /nfs/dbraw/zinc/19/22/94/325192294.db2.gz LCAHFEUSPXZIAP-MRXNPFEDSA-N 1 2 372.494 2.174 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000081666220 325192298 /nfs/dbraw/zinc/19/22/98/325192298.db2.gz LCAHFEUSPXZIAP-MRXNPFEDSA-N 1 2 372.494 2.174 10 0 FEAELO COCCCOC1CN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000091225107 325381154 /nfs/dbraw/zinc/38/11/54/325381154.db2.gz VYXKIVPPGUUOFQ-HNNXBMFYSA-N 1 2 358.442 2.380 10 0 FEAELO O=C(Cc1cn2ccccc2[nH+]1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091760387 325392692 /nfs/dbraw/zinc/39/26/92/325392692.db2.gz HLIHSEOXZBGIEQ-WMLDXEAASA-N 1 2 357.360 2.490 10 0 FEAELO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084912 325577993 /nfs/dbraw/zinc/57/79/93/325577993.db2.gz XMZDKVDJIWXDHU-AWEZNQCLSA-N 1 2 364.453 2.375 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)CC2)s1 ZINC000110939613 325696967 /nfs/dbraw/zinc/69/69/67/325696967.db2.gz 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CCOC(=O)CC[C@@H](C)NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000121023773 326307332 /nfs/dbraw/zinc/30/73/32/326307332.db2.gz WJHDSGZLBUKBNJ-CYBMUJFWSA-N 1 2 368.503 2.011 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)n1 ZINC000121327783 326329921 /nfs/dbraw/zinc/32/99/21/326329921.db2.gz QBIFPIDGMUVOGC-AWEZNQCLSA-N 1 2 367.457 2.052 10 0 FEAELO CCc1nn(C)c(CC)c1CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000121470214 326341022 /nfs/dbraw/zinc/34/10/22/326341022.db2.gz MRWCQGMVNLMRAB-UHFFFAOYSA-N 1 2 358.534 2.213 10 0 FEAELO CCOc1ccnc(N2CCN(Cc3c[nH+]c4c(C)cccn34)CC2)n1 ZINC000121511700 326344140 /nfs/dbraw/zinc/34/41/40/326344140.db2.gz NFKGBRPDAXNHES-UHFFFAOYSA-N 1 2 352.442 2.154 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3cnc4c(C)cccn34)CC2)n1 ZINC000121511700 326344142 /nfs/dbraw/zinc/34/41/42/326344142.db2.gz NFKGBRPDAXNHES-UHFFFAOYSA-N 1 2 352.442 2.154 10 0 FEAELO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2ccnn2CC)CC1 ZINC000121694851 326359075 /nfs/dbraw/zinc/35/90/75/326359075.db2.gz 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CN(c1cccnn1)C1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000170941131 327108674 /nfs/dbraw/zinc/10/86/74/327108674.db2.gz TYWIEGZFQRRWSS-UHFFFAOYSA-N 1 2 360.849 2.064 10 0 FEAELO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000170942650 327109018 /nfs/dbraw/zinc/10/90/18/327109018.db2.gz DUAOKDZCOALCDK-ZWKOTPCHSA-N 1 2 369.513 2.293 10 0 FEAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000171063141 327115003 /nfs/dbraw/zinc/11/50/03/327115003.db2.gz ITGGOSPYZSBPSL-GFCCVEGCSA-N 1 2 362.348 2.056 10 0 FEAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C1 ZINC000171063141 327115005 /nfs/dbraw/zinc/11/50/05/327115005.db2.gz ITGGOSPYZSBPSL-GFCCVEGCSA-N 1 2 362.348 2.056 10 0 FEAELO COc1ccccc1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000171675185 327154282 /nfs/dbraw/zinc/15/42/82/327154282.db2.gz QURSWHBUSRAFFM-UHFFFAOYSA-N 1 2 351.428 2.026 10 0 FEAELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000171705578 327156285 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Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000172421096 327200901 /nfs/dbraw/zinc/20/09/01/327200901.db2.gz ATAANMPRKJECIB-CQSZACIVSA-N 1 2 352.442 2.191 10 0 FEAELO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000172433651 327201746 /nfs/dbraw/zinc/20/17/46/327201746.db2.gz IDADAVCNSUMJEH-MRXNPFEDSA-N 1 2 364.453 2.262 10 0 FEAELO O=C(c1csc(Cc2ccccc2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172753479 327217075 /nfs/dbraw/zinc/21/70/75/327217075.db2.gz NESWKJYAHFXMDF-INIZCTEOSA-N 1 2 357.479 2.281 10 0 FEAELO COc1cccc(C2(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)CCCC2)c1 ZINC000172755475 327217179 /nfs/dbraw/zinc/21/71/79/327217179.db2.gz FVNZYLIPJYWNHN-SFHVURJKSA-N 1 2 358.482 2.440 10 0 FEAELO O=C(Nc1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1)c1ccco1 ZINC000172760144 327217411 /nfs/dbraw/zinc/21/74/11/327217411.db2.gz MKOPROBPRLKDTO-KRWDZBQOSA-N 1 2 369.421 2.079 10 0 FEAELO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@H](Cn4cccn4)C3)ccc2o1 ZINC000172793535 327219538 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CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccc(O)cc2)nc[nH+]1 ZINC000173420961 327255237 /nfs/dbraw/zinc/25/52/37/327255237.db2.gz MGYDFNJDMLOPIR-OAHLLOKOSA-N 1 2 370.457 2.034 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccc(O)cc2)[nH+]cn1 ZINC000173420961 327255239 /nfs/dbraw/zinc/25/52/39/327255239.db2.gz MGYDFNJDMLOPIR-OAHLLOKOSA-N 1 2 370.457 2.034 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(Cl)cc2)nc[nH+]1 ZINC000173443241 327257435 /nfs/dbraw/zinc/25/74/35/327257435.db2.gz QEQZHACCOLPHEA-HNNXBMFYSA-N 1 2 359.861 2.499 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(Cl)cc2)[nH+]cn1 ZINC000173443241 327257436 /nfs/dbraw/zinc/25/74/36/327257436.db2.gz QEQZHACCOLPHEA-HNNXBMFYSA-N 1 2 359.861 2.499 10 0 FEAELO CCc1ccc2c(C[N@@H+]3CCO[C@@H](c4nnc(C)[nH]4)C3)cc(=O)oc2c1 ZINC000173676969 327276077 /nfs/dbraw/zinc/27/60/77/327276077.db2.gz UUMGAWCZGCQTCH-QGZVFWFLSA-N 1 2 354.410 2.355 10 0 FEAELO CCc1ccc2c(C[N@H+]3CCO[C@@H](c4nnc(C)[nH]4)C3)cc(=O)oc2c1 ZINC000173676969 327276078 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COc1ccc2oc([C@@H](C)NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)c(C)c2c1 ZINC000106561341 543238426 /nfs/dbraw/zinc/23/84/26/543238426.db2.gz FBEAYVFNXSBSAA-UKRRQHHQSA-N 1 2 361.442 2.441 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(N(C)C)ccn3)CC2)cs1 ZINC000109650260 543330979 /nfs/dbraw/zinc/33/09/79/543330979.db2.gz UCLOWKONIQVRSR-UHFFFAOYSA-N 1 2 359.499 2.261 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(N(C)C)ccn3)CC2)cs1 ZINC000109650260 543330982 /nfs/dbraw/zinc/33/09/82/543330982.db2.gz UCLOWKONIQVRSR-UHFFFAOYSA-N 1 2 359.499 2.261 10 0 FEAELO CCN(CC)C(=O)CCCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111622822 543409498 /nfs/dbraw/zinc/40/94/98/543409498.db2.gz QTPHVRYLRSABTQ-UHFFFAOYSA-N 1 2 366.531 2.134 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000115388126 543564521 /nfs/dbraw/zinc/56/45/21/543564521.db2.gz DTGCENRVAIYDEA-UHFFFAOYSA-N 1 2 352.482 2.484 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000117521548 543635141 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O=C1C[N@H+](C[C@H](O)COCc2ccccc2)CCN1Cc1cccc(F)c1 ZINC000131075810 544176308 /nfs/dbraw/zinc/17/63/08/544176308.db2.gz YLMCTRBHSIJQIV-FQEVSTJZSA-N 1 2 372.440 2.048 10 0 FEAELO O=C1C[N@@H+](C[C@H](O)COCc2ccccc2)CCN1Cc1cccc(F)c1 ZINC000131075810 544176309 /nfs/dbraw/zinc/17/63/09/544176309.db2.gz YLMCTRBHSIJQIV-FQEVSTJZSA-N 1 2 372.440 2.048 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccc(C(=O)OC)cc3F)CC2)n1 ZINC000135441897 544346885 /nfs/dbraw/zinc/34/68/85/544346885.db2.gz KERUDGODIAHFCE-UHFFFAOYSA-N 1 2 374.416 2.123 10 0 FEAELO CC[C@@H](O)CN1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000137506460 544390885 /nfs/dbraw/zinc/39/08/85/544390885.db2.gz TVHNAOASLZKPQU-CQSZACIVSA-N 1 2 373.419 2.423 10 0 FEAELO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000139990918 544406017 /nfs/dbraw/zinc/40/60/17/544406017.db2.gz VDXSTVWLAOVCDQ-HOTGVXAUSA-N 1 2 370.497 2.274 10 0 FEAELO Cc1cc(F)ccc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000151170459 544512727 /nfs/dbraw/zinc/51/27/27/544512727.db2.gz LEHGUWYKWVXSNO-GOSISDBHSA-N 1 2 372.440 2.332 10 0 FEAELO Cc1ccn(-c2ccccc2NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000151245171 544521322 /nfs/dbraw/zinc/52/13/22/544521322.db2.gz NVXRSNWZFUHZNN-MRXNPFEDSA-N 1 2 355.442 2.119 10 0 FEAELO COc1ccccc1[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000151883197 544591844 /nfs/dbraw/zinc/59/18/44/544591844.db2.gz GAUZYINANBAIOL-KSSFIOAISA-N 1 2 359.426 2.007 10 0 FEAELO COc1ccccc1[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000151883197 544591845 /nfs/dbraw/zinc/59/18/45/544591845.db2.gz GAUZYINANBAIOL-KSSFIOAISA-N 1 2 359.426 2.007 10 0 FEAELO CCN(CC)C(=O)CCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000152355050 544642844 /nfs/dbraw/zinc/64/28/44/544642844.db2.gz DVBZWDOMVBQZFX-UHFFFAOYSA-N 1 2 366.531 2.134 10 0 FEAELO CCN(CC)C(=O)CCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000152355050 544642848 /nfs/dbraw/zinc/64/28/48/544642848.db2.gz DVBZWDOMVBQZFX-UHFFFAOYSA-N 1 2 366.531 2.134 10 0 FEAELO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000154775298 544947960 /nfs/dbraw/zinc/94/79/60/544947960.db2.gz APHXXKQNOJZJAP-HUUCEWRRSA-N 1 2 350.463 2.425 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2cccc3c2OCCCO3)[nH+]cn1 ZINC000154594310 544926032 /nfs/dbraw/zinc/92/60/32/544926032.db2.gz UXIQHKGYXZLUJZ-OAHLLOKOSA-N 1 2 356.426 2.211 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2cccc3c2OCCCO3)nc[nH+]1 ZINC000154594310 544926035 /nfs/dbraw/zinc/92/60/35/544926035.db2.gz UXIQHKGYXZLUJZ-OAHLLOKOSA-N 1 2 356.426 2.211 10 0 FEAELO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182315706 327770565 /nfs/dbraw/zinc/77/05/65/327770565.db2.gz GMMVHMYXRSXZIL-KRWDZBQOSA-N 1 2 370.457 2.078 10 0 FEAELO COc1ccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1F ZINC000182798785 327789286 /nfs/dbraw/zinc/78/92/86/327789286.db2.gz PHHDGQDNQAOHPW-UHFFFAOYSA-N 1 2 374.416 2.215 10 0 FEAELO Cc1nc(N2CCN(C(=O)N[C@@H]3CCOc4ccccc43)CC2)cc[nH+]1 ZINC000184903499 327888347 /nfs/dbraw/zinc/88/83/47/327888347.db2.gz WOHNDKSVHQGMHQ-MRXNPFEDSA-N 1 2 353.426 2.140 10 0 FEAELO Cc1ccc(Br)cc1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000187324997 328016825 /nfs/dbraw/zinc/01/68/25/328016825.db2.gz WCSBIPBFUAKQSM-ZDUSSCGKSA-N 1 2 370.291 2.277 10 0 FEAELO C[C@H](NC(=O)N1CCC[C@@]12CCOC2=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000187352694 328019137 /nfs/dbraw/zinc/01/91/37/328019137.db2.gz BUMQNZGXRZWCFA-LIRRHRJNSA-N 1 2 354.410 2.424 10 0 FEAELO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188534014 328093416 /nfs/dbraw/zinc/09/34/16/328093416.db2.gz ORBJTXODHQMZPH-UONOGXRCSA-N 1 2 354.426 2.079 10 0 FEAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000189291559 328139444 /nfs/dbraw/zinc/13/94/44/328139444.db2.gz ARFWPROTEDDUNR-XLIONFOSSA-N 1 2 365.477 2.297 10 0 FEAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000189291559 328139446 /nfs/dbraw/zinc/13/94/46/328139446.db2.gz ARFWPROTEDDUNR-XLIONFOSSA-N 1 2 365.477 2.297 10 0 FEAELO COCc1cccc(CC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000189405938 328146071 /nfs/dbraw/zinc/14/60/71/328146071.db2.gz AFGKFAAODUKRQP-UHFFFAOYSA-N 1 2 359.495 2.485 10 0 FEAELO CC[C@](C)(O)CN(Cc1ccccc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000190525953 328213835 /nfs/dbraw/zinc/21/38/35/328213835.db2.gz WMKOZKVTXKTFGS-PXNSSMCTSA-N 1 2 363.502 2.080 10 0 FEAELO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C(C)C ZINC000190746222 328229865 /nfs/dbraw/zinc/22/98/65/328229865.db2.gz SCZXJBBSLOVIQH-MRXNPFEDSA-N 1 2 356.470 2.365 10 0 FEAELO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C(C)C ZINC000190746222 328229866 /nfs/dbraw/zinc/22/98/66/328229866.db2.gz SCZXJBBSLOVIQH-MRXNPFEDSA-N 1 2 356.470 2.365 10 0 FEAELO CSCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000190759115 328230900 /nfs/dbraw/zinc/23/09/00/328230900.db2.gz ORQOLTVXJWUHLA-MRXNPFEDSA-N 1 2 358.467 2.376 10 0 FEAELO O=C(Nc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190765994 328231427 /nfs/dbraw/zinc/23/14/27/328231427.db2.gz WCXMXMAVWQPTRJ-GFCCVEGCSA-N 1 2 350.781 2.305 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](CCCOc3ccc4c(c3)OCO4)CCO2)cn1 ZINC000190790622 328232729 /nfs/dbraw/zinc/23/27/29/328232729.db2.gz OOKUVVNLIUFMPZ-IBGZPJMESA-N 1 2 359.426 2.474 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](CCCOc3ccc4c(c3)OCO4)CCO2)cn1 ZINC000190790622 328232730 /nfs/dbraw/zinc/23/27/30/328232730.db2.gz OOKUVVNLIUFMPZ-IBGZPJMESA-N 1 2 359.426 2.474 10 0 FEAELO CCn1cc([C@H]2C[N@H+](CCOc3ccccc3C(=O)OC)CCO2)cn1 ZINC000190832026 328234875 /nfs/dbraw/zinc/23/48/75/328234875.db2.gz SNLCXNGYRIHYLZ-GOSISDBHSA-N 1 2 359.426 2.142 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](CCOc3ccccc3C(=O)OC)CCO2)cn1 ZINC000190832026 328234877 /nfs/dbraw/zinc/23/48/77/328234877.db2.gz SNLCXNGYRIHYLZ-GOSISDBHSA-N 1 2 359.426 2.142 10 0 FEAELO COc1cc(OC)cc([C@H](NC(=O)[C@@H]2CCCO[C@@H]2C)c2[nH+]ccn2C)c1 ZINC000191644133 328275486 /nfs/dbraw/zinc/27/54/86/328275486.db2.gz MSKUXXNEQKRFDO-XWIAVFTESA-N 1 2 373.453 2.458 10 0 FEAELO CCc1noc([C@H](C)[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191979380 328291477 /nfs/dbraw/zinc/29/14/77/328291477.db2.gz IRHWEAYBNBXVEM-ZDUSSCGKSA-N 1 2 352.479 2.431 10 0 FEAELO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccc(S(C)(=O)=O)cc1 ZINC000192944191 328348397 /nfs/dbraw/zinc/34/83/97/328348397.db2.gz RABDXGDFNFNANK-CYBMUJFWSA-N 1 2 371.462 2.188 10 0 FEAELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000193145417 328359531 /nfs/dbraw/zinc/35/95/31/328359531.db2.gz DQBXUQUOODRADQ-AWEZNQCLSA-N 1 2 353.401 2.387 10 0 FEAELO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000193357342 328370461 /nfs/dbraw/zinc/37/04/61/328370461.db2.gz UZQWTRMLQOCGEN-ZFWWWQNUSA-N 1 2 350.463 2.162 10 0 FEAELO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193387607 328372244 /nfs/dbraw/zinc/37/22/44/328372244.db2.gz BJQUMZVGZLRIPI-GFCCVEGCSA-N 1 2 353.357 2.222 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000081342323 325170636 /nfs/dbraw/zinc/17/06/36/325170636.db2.gz BTNIZNRXGMLCTR-HNNXBMFYSA-N 1 2 371.441 2.397 10 0 FEAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000081595387 325187533 /nfs/dbraw/zinc/18/75/33/325187533.db2.gz JSHPEVQJLYXSJO-IRXDYDNUSA-N 1 2 371.510 2.328 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000083067009 325212624 /nfs/dbraw/zinc/21/26/24/325212624.db2.gz MPGLUKFHLJRATP-BYNSBNAKSA-N 1 2 355.504 2.147 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000083066856 325212751 /nfs/dbraw/zinc/21/27/51/325212751.db2.gz OKENFWFCGBHOHF-STQMWFEESA-N 1 2 367.446 2.223 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000083066969 325212794 /nfs/dbraw/zinc/21/27/94/325212794.db2.gz DYGCMGFUCGMKRI-UHFFFAOYSA-N 1 2 355.847 2.418 10 0 FEAELO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000083694117 325221822 /nfs/dbraw/zinc/22/18/22/325221822.db2.gz PMFISXMXQDEKGO-JXFKEZNVSA-N 1 2 371.481 2.235 10 0 FEAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000087117177 325274012 /nfs/dbraw/zinc/27/40/12/325274012.db2.gz SCNKUSRQWIIEEK-CQSZACIVSA-N 1 2 353.430 2.131 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(Cl)c1OCC(N)=O ZINC000091978891 325399325 /nfs/dbraw/zinc/39/93/25/325399325.db2.gz FVWUKPNFMLDAPR-LSDHHAIUSA-N 1 2 368.861 2.356 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(Cl)c1OCC(N)=O ZINC000091978891 325399326 /nfs/dbraw/zinc/39/93/26/325399326.db2.gz FVWUKPNFMLDAPR-LSDHHAIUSA-N 1 2 368.861 2.356 10 0 FEAELO COc1cccc(NC(=O)CN2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000106091362 325579174 /nfs/dbraw/zinc/57/91/74/325579174.db2.gz ZUXBMWUOZPVXFM-UHFFFAOYSA-N 1 2 360.483 2.216 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3C)CC2)n1 ZINC000106132701 325584955 /nfs/dbraw/zinc/58/49/55/325584955.db2.gz NDPOTDITBJVUJH-HOTGVXAUSA-N 1 2 371.485 2.070 10 0 FEAELO Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C2)cn1 ZINC000116424442 326013626 /nfs/dbraw/zinc/01/36/26/326013626.db2.gz JJADYHMLJXYVKB-OAHLLOKOSA-N 1 2 368.416 2.444 10 0 FEAELO O=C(Nc1cccc(F)c1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117399834 326059944 /nfs/dbraw/zinc/05/99/44/326059944.db2.gz WZMMJWYJRJEWHJ-SFHVURJKSA-N 1 2 373.428 2.415 10 0 FEAELO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000121368890 326333076 /nfs/dbraw/zinc/33/30/76/326333076.db2.gz CVGGSIPWOGGZHT-CXAGYDPISA-N 1 2 358.417 2.009 10 0 FEAELO O=C(NCc1csc(-c2ccco2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000121463851 326340591 /nfs/dbraw/zinc/34/05/91/326340591.db2.gz VPKHGKKVNKNVEN-CQSZACIVSA-N 1 2 362.455 2.019 10 0 FEAELO C[C@H](NC(=O)NC[C@]1(CCO)CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131338182 326572928 /nfs/dbraw/zinc/57/29/28/326572928.db2.gz PNMXFCMKMFOODF-KXBFYZLASA-N 1 2 358.442 2.022 10 0 FEAELO COc1ccccc1N1CC[C@H]([NH+]2CCC(Nc3cccnn3)CC2)C1=O ZINC000151043320 326673661 /nfs/dbraw/zinc/67/36/61/326673661.db2.gz IIKGQFFHHKSKHG-KRWDZBQOSA-N 1 2 367.453 2.167 10 0 FEAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000171828381 327164338 /nfs/dbraw/zinc/16/43/38/327164338.db2.gz MCJSRHOCHYEAQL-INIZCTEOSA-N 1 2 367.453 2.031 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4cnn(C)c4)CC3)[nH]n2)o1 ZINC000171988506 327174603 /nfs/dbraw/zinc/17/46/03/327174603.db2.gz PTDWCHIGQVOAGT-UHFFFAOYSA-N 1 2 368.441 2.060 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4cnn(C)c4)CC3)[nH]n2)o1 ZINC000171988506 327174604 /nfs/dbraw/zinc/17/46/04/327174604.db2.gz PTDWCHIGQVOAGT-UHFFFAOYSA-N 1 2 368.441 2.060 10 0 FEAELO Cc1nc(NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)sc1C ZINC000172044119 327177464 /nfs/dbraw/zinc/17/74/64/327177464.db2.gz VYRXEBSEQLCQOG-UHFFFAOYSA-N 1 2 362.503 2.460 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000172346632 327197241 /nfs/dbraw/zinc/19/72/41/327197241.db2.gz MQHWOECFYKHQSE-LLVKDONJSA-N 1 2 374.268 2.111 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000172346632 327197242 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COc1ccc(O[C@H](C)CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000172778072 327218492 /nfs/dbraw/zinc/21/84/92/327218492.db2.gz BHVHDVUXBWFUMX-HUUCEWRRSA-N 1 2 358.442 2.326 10 0 FEAELO COc1ccc(O[C@H](C)CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000172778072 327218494 /nfs/dbraw/zinc/21/84/94/327218494.db2.gz BHVHDVUXBWFUMX-HUUCEWRRSA-N 1 2 358.442 2.326 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Oc2cccc(F)c2)nc[nH+]1 ZINC000173415481 327254742 /nfs/dbraw/zinc/25/47/42/327254742.db2.gz BVDLZDFEIQFKLZ-DZGCQCFKSA-N 1 2 373.432 2.210 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Oc2cccc(F)c2)[nH+]cn1 ZINC000173415481 327254743 /nfs/dbraw/zinc/25/47/43/327254743.db2.gz BVDLZDFEIQFKLZ-DZGCQCFKSA-N 1 2 373.432 2.210 10 0 FEAELO CCn1c(C)cc(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1C ZINC000173439651 327257148 /nfs/dbraw/zinc/25/71/48/327257148.db2.gz YIOIYQBNSBIAFY-OAHLLOKOSA-N 1 2 356.474 2.355 10 0 FEAELO CCn1c(C)cc(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c1C ZINC000173439651 327257150 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VURQOPXUYXZDHO-LRDDRELGSA-N 1 2 350.850 2.444 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC/C=C/c2ccccc2)nc[nH+]1 ZINC000174879506 327357628 /nfs/dbraw/zinc/35/76/28/327357628.db2.gz PFUOBVCZCXTHBZ-MPNRVQBSSA-N 1 2 366.469 2.500 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC/C=C/c2ccccc2)[nH+]cn1 ZINC000174879506 327357629 /nfs/dbraw/zinc/35/76/29/327357629.db2.gz PFUOBVCZCXTHBZ-MPNRVQBSSA-N 1 2 366.469 2.500 10 0 FEAELO CCO[C@@H](C)c1nc(CN(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cs1 ZINC000175008228 327367780 /nfs/dbraw/zinc/36/77/80/327367780.db2.gz CZSVXIQMLOZTFO-KGLIPLIRSA-N 1 2 370.519 2.103 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccs2)CCO1 ZINC000175042765 327370523 /nfs/dbraw/zinc/37/05/23/327370523.db2.gz QORKQONZEXSQRD-WCVJEAGWSA-N 1 2 367.515 2.329 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccs2)CCO1 ZINC000175042765 327370524 /nfs/dbraw/zinc/37/05/24/327370524.db2.gz QORKQONZEXSQRD-WCVJEAGWSA-N 1 2 367.515 2.329 10 0 FEAELO Cn1c(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)nnc1C1CC1 ZINC000175163789 327377903 /nfs/dbraw/zinc/37/79/03/327377903.db2.gz IENJMFVFZGLXHH-KRWDZBQOSA-N 1 2 353.470 2.477 10 0 FEAELO Cn1c(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)nnc1C1CC1 ZINC000175163789 327377904 /nfs/dbraw/zinc/37/79/04/327377904.db2.gz IENJMFVFZGLXHH-KRWDZBQOSA-N 1 2 353.470 2.477 10 0 FEAELO C[C@H](NC(=O)NCC(=O)N1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175496280 327395988 /nfs/dbraw/zinc/39/59/88/327395988.db2.gz GJUGHQJLAQOYOX-HNNXBMFYSA-N 1 2 355.442 2.245 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)CC2)cs1 ZINC000175543250 327398692 /nfs/dbraw/zinc/39/86/92/327398692.db2.gz UUJVARMWDVLHPR-CQSZACIVSA-N 1 2 368.547 2.466 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCC(C)(C)C[C@@H](C)O)CC2)cs1 ZINC000175543250 327398694 /nfs/dbraw/zinc/39/86/94/327398694.db2.gz UUJVARMWDVLHPR-CQSZACIVSA-N 1 2 368.547 2.466 10 0 FEAELO Cc1cnn(CCC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000176544777 327462058 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ZINC000246770907 549208861 /nfs/dbraw/zinc/20/88/61/549208861.db2.gz IAVOQCHUVSEAOM-SCLBCKFNSA-N 1 2 359.426 2.141 10 0 FEAELO COC(=O)[C@@H](c1cc(OC)cc(OC)c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000246770907 549208865 /nfs/dbraw/zinc/20/88/65/549208865.db2.gz IAVOQCHUVSEAOM-SCLBCKFNSA-N 1 2 359.426 2.141 10 0 FEAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246889755 549236357 /nfs/dbraw/zinc/23/63/57/549236357.db2.gz DSXPAXMEIYJXNW-BBRMVZONSA-N 1 2 361.471 2.004 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1C ZINC000246937551 549247288 /nfs/dbraw/zinc/24/72/88/549247288.db2.gz AXOYNLHETWALSX-GOEBONIOSA-N 1 2 357.458 2.409 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1C ZINC000246937551 549247291 /nfs/dbraw/zinc/24/72/91/549247291.db2.gz AXOYNLHETWALSX-GOEBONIOSA-N 1 2 357.458 2.409 10 0 FEAELO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C12CCCC2 ZINC000246982244 549256386 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ZINC000177225083 546574980 /nfs/dbraw/zinc/57/49/80/546574980.db2.gz JMQCQNRHZSKZLC-AEFFLSMTSA-N 1 2 356.470 2.007 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2cccc3c2N=S=N3)C[C@@H]1[NH+]1CCOCC1 ZINC000177274098 546584778 /nfs/dbraw/zinc/58/47/78/546584778.db2.gz QQKXHLNJNVFQHO-WFASDCNBSA-N 1 2 361.471 2.004 10 0 FEAELO C[C@H]1C[N@H+](CC(=O)Nc2cccc3c2N=S=N3)C[C@@H]1N1CCOCC1 ZINC000177274098 546584784 /nfs/dbraw/zinc/58/47/84/546584784.db2.gz QQKXHLNJNVFQHO-WFASDCNBSA-N 1 2 361.471 2.004 10 0 FEAELO C[C@H]1C[N@@H+](CC(=O)Nc2cccc3c2N=S=N3)C[C@@H]1N1CCOCC1 ZINC000177274098 546584788 /nfs/dbraw/zinc/58/47/88/546584788.db2.gz QQKXHLNJNVFQHO-WFASDCNBSA-N 1 2 361.471 2.004 10 0 FEAELO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000178325798 546775959 /nfs/dbraw/zinc/77/59/59/546775959.db2.gz ZPFVMKYMJAVAGY-VQTJNVASSA-N 1 2 355.434 2.164 10 0 FEAELO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000178325798 546775966 /nfs/dbraw/zinc/77/59/66/546775966.db2.gz ZPFVMKYMJAVAGY-VQTJNVASSA-N 1 2 355.434 2.164 10 0 FEAELO COC[C@H](C)CNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000178711321 546837091 /nfs/dbraw/zinc/83/70/91/546837091.db2.gz BPCFPCXOWBGVQA-CABCVRRESA-N 1 2 355.504 2.045 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180103728 547052658 /nfs/dbraw/zinc/05/26/58/547052658.db2.gz PBYHVYKHFOUKRP-UHFFFAOYSA-N 1 2 358.534 2.386 10 0 FEAELO Cc1nc(N2CCN(C(=O)N[C@@H](C)COCc3ccccc3)CC2)cc[nH+]1 ZINC000185016166 547918117 /nfs/dbraw/zinc/91/81/17/547918117.db2.gz XHTQDBRYGOHGHY-INIZCTEOSA-N 1 2 369.469 2.222 10 0 FEAELO Cc1ccc(CCC(=O)NC[C@H]2C[N@H+](C)CCO2)c(Br)c1 ZINC000185198602 547949941 /nfs/dbraw/zinc/94/99/41/547949941.db2.gz KVAMNCKYEIDVFZ-AWEZNQCLSA-N 1 2 355.276 2.137 10 0 FEAELO Cc1ccc(CCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(Br)c1 ZINC000185198602 547949946 /nfs/dbraw/zinc/94/99/46/547949946.db2.gz KVAMNCKYEIDVFZ-AWEZNQCLSA-N 1 2 355.276 2.137 10 0 FEAELO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000185586082 548006005 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CCOc1ccc(C(=O)CCC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)cc1 ZINC000117288190 326054612 /nfs/dbraw/zinc/05/46/12/326054612.db2.gz QSZXFKGSIOPKOL-INIZCTEOSA-N 1 2 362.470 2.227 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCSc2ccccn2)nc[nH+]1 ZINC000121385240 326334715 /nfs/dbraw/zinc/33/47/15/326334715.db2.gz QZUINOJETQMMNU-AWEZNQCLSA-N 1 2 372.498 2.181 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCSc2ccccn2)[nH+]cn1 ZINC000121385240 326334716 /nfs/dbraw/zinc/33/47/16/326334716.db2.gz QZUINOJETQMMNU-AWEZNQCLSA-N 1 2 372.498 2.181 10 0 FEAELO C[C@H](CNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)[NH+]1CCOCC1 ZINC000121829621 326370623 /nfs/dbraw/zinc/37/06/23/326370623.db2.gz SDCYXBPYKPKOOF-OAHLLOKOSA-N 1 2 367.449 2.134 10 0 FEAELO C[C@H](NC(=O)NCCCO[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000122223460 326388718 /nfs/dbraw/zinc/38/87/18/326388718.db2.gz SPHMXVKHECMIFC-YJBOKZPZSA-N 1 2 358.442 2.428 10 0 FEAELO C[C@H]1CC[C@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)O1 ZINC000123682372 326440348 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Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCOC3)CC2)cs1 ZINC000172117254 327181693 /nfs/dbraw/zinc/18/16/93/327181693.db2.gz PBOOENKCRFVGCP-HNNXBMFYSA-N 1 2 352.504 2.095 10 0 FEAELO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCCO4)sc2n1 ZINC000172575406 327209284 /nfs/dbraw/zinc/20/92/84/327209284.db2.gz JZSOGAYDVSFLLD-LLVKDONJSA-N 1 2 358.423 2.081 10 0 FEAELO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743765 327216399 /nfs/dbraw/zinc/21/63/99/327216399.db2.gz AXZYOMIRNOKALO-CYBMUJFWSA-N 1 2 371.250 2.064 10 0 FEAELO CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743500 327216446 /nfs/dbraw/zinc/21/64/46/327216446.db2.gz ANEKJZMCETWKRY-OAHLLOKOSA-N 1 2 359.470 2.218 10 0 FEAELO O=C(CCc1cc(Br)cs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749525 327216748 /nfs/dbraw/zinc/21/67/48/327216748.db2.gz DCZOVICKBGUOCK-ZDUSSCGKSA-N 1 2 373.316 2.376 10 0 FEAELO Cc1ccc(-c2nc(CC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cs2)o1 ZINC000172760448 327217366 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CCCN(CC(F)F)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173421332 327255321 /nfs/dbraw/zinc/25/53/21/327255321.db2.gz PVULCZYKTSNCJK-GFCCVEGCSA-N 1 2 356.421 2.174 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)c2ccc(Cl)cc2)nc[nH+]1 ZINC000173422716 327255534 /nfs/dbraw/zinc/25/55/34/327255534.db2.gz ZLDGHQFAPYPLJT-AWEZNQCLSA-N 1 2 373.844 2.140 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)c2ccc(Cl)cc2)[nH+]cn1 ZINC000173422716 327255535 /nfs/dbraw/zinc/25/55/35/327255535.db2.gz ZLDGHQFAPYPLJT-AWEZNQCLSA-N 1 2 373.844 2.140 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)C2)n1 ZINC000173492326 327261078 /nfs/dbraw/zinc/26/10/78/327261078.db2.gz MAZLNAXVVAKZLP-OAHLLOKOSA-N 1 2 366.531 2.451 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)NCC[N@H+]3CCOCC3(C)C)C2)n1 ZINC000173492326 327261080 /nfs/dbraw/zinc/26/10/80/327261080.db2.gz MAZLNAXVVAKZLP-OAHLLOKOSA-N 1 2 366.531 2.451 10 0 FEAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1 ZINC000173621787 327271808 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10 0 FEAELO CCc1ccc([C@@H]2CCCC[N@H+]2CCNS(=O)(=O)c2cnn(C)c2)o1 ZINC000173796757 327284886 /nfs/dbraw/zinc/28/48/86/327284886.db2.gz DMAYFLCRQLYDOU-INIZCTEOSA-N 1 2 366.487 2.081 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000173830836 327287485 /nfs/dbraw/zinc/28/74/85/327287485.db2.gz SWKQCMYGKBONHZ-KSSFIOAISA-N 1 2 360.502 2.308 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173864197 327289474 /nfs/dbraw/zinc/28/94/74/327289474.db2.gz QEPUEYRHAQGSDO-ABAIWWIYSA-N 1 2 371.250 2.381 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@H]1[NH+]1CCOCC1 ZINC000173888306 327291871 /nfs/dbraw/zinc/29/18/71/327291871.db2.gz AQOBRUCYXJMRLX-CRAIPNDOSA-N 1 2 359.495 2.391 10 0 FEAELO O=C(NCc1ccccc1OCC1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173893792 327292218 /nfs/dbraw/zinc/29/22/18/327292218.db2.gz FCKFHYPYZFXIMC-SFHVURJKSA-N 1 2 359.470 2.092 10 0 FEAELO COc1ccc2cc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)ccc2n1 ZINC000173900662 327292706 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546630701 /nfs/dbraw/zinc/63/07/01/546630701.db2.gz SSVADYQUVCEDAC-OCCSQVGLSA-N 1 2 374.275 2.461 10 0 FEAELO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000177489451 546630709 /nfs/dbraw/zinc/63/07/09/546630709.db2.gz SSVADYQUVCEDAC-OCCSQVGLSA-N 1 2 374.275 2.461 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)ccc1OC(F)F ZINC000178612424 546820253 /nfs/dbraw/zinc/82/02/53/546820253.db2.gz LPDJCDBRAZZFKK-AWEZNQCLSA-N 1 2 353.369 2.394 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)ccc1OC(F)F ZINC000178612424 546820254 /nfs/dbraw/zinc/82/02/54/546820254.db2.gz LPDJCDBRAZZFKK-AWEZNQCLSA-N 1 2 353.369 2.394 10 0 FEAELO COCC[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178631282 546822824 /nfs/dbraw/zinc/82/28/24/546822824.db2.gz XBOGTWFRDBZRKH-HIFRSBDPSA-N 1 2 355.504 2.154 10 0 FEAELO CCOCCN(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000179522421 546970686 /nfs/dbraw/zinc/97/06/86/546970686.db2.gz VKVQGWKGKPXKCG-CABCVRRESA-N 1 2 355.504 2.188 10 0 FEAELO CCOCCN(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000179522421 546970690 /nfs/dbraw/zinc/97/06/90/546970690.db2.gz VKVQGWKGKPXKCG-CABCVRRESA-N 1 2 355.504 2.188 10 0 FEAELO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000179924206 547030161 /nfs/dbraw/zinc/03/01/61/547030161.db2.gz FPRZNNIJHLHJKL-HNNXBMFYSA-N 1 2 357.462 2.138 10 0 FEAELO COc1ccc(OC(F)F)c(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000180229890 547070458 /nfs/dbraw/zinc/07/04/58/547070458.db2.gz WODILUAMVUSGBK-CJNGLKHVSA-N 1 2 356.413 2.449 10 0 FEAELO Cc1cc(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc(=O)[nH]1 ZINC000180522515 547124132 /nfs/dbraw/zinc/12/41/32/547124132.db2.gz XMJUZQHAMVQYFH-HNNXBMFYSA-N 1 2 361.467 2.303 10 0 FEAELO CC[C@@H]1CN(C(=O)c2ccc(Br)c(O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000181133314 547255373 /nfs/dbraw/zinc/25/53/73/547255373.db2.gz MTHGIBYUOFJIGT-DGCLKSJQSA-N 1 2 371.275 2.072 10 0 FEAELO CC[C@@H]1CN(C(=O)c2ccc(Br)c(O)c2)CC[N@H+]1C[C@@H](C)O ZINC000181133314 547255379 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RITHLGGYNCUXKY-AWEZNQCLSA-N 1 2 361.364 2.057 10 0 FEAELO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104799828 543145411 /nfs/dbraw/zinc/14/54/11/543145411.db2.gz RITHLGGYNCUXKY-AWEZNQCLSA-N 1 2 361.364 2.057 10 0 FEAELO CN(CCCOc1cccc(Cl)c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104799749 543145531 /nfs/dbraw/zinc/14/55/31/543145531.db2.gz AVQWNUNCBPRZAS-INIZCTEOSA-N 1 2 355.866 2.081 10 0 FEAELO CN(CCCOc1cccc(Cl)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104799749 543145533 /nfs/dbraw/zinc/14/55/33/543145533.db2.gz AVQWNUNCBPRZAS-INIZCTEOSA-N 1 2 355.866 2.081 10 0 FEAELO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070345 543188201 /nfs/dbraw/zinc/18/82/01/543188201.db2.gz KMHFYPRUGGIAAB-ZDUSSCGKSA-N 1 2 361.396 2.294 10 0 FEAELO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070345 543188202 /nfs/dbraw/zinc/18/82/02/543188202.db2.gz KMHFYPRUGGIAAB-ZDUSSCGKSA-N 1 2 361.396 2.294 10 0 FEAELO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)nn1 ZINC000106073644 543190254 /nfs/dbraw/zinc/19/02/54/543190254.db2.gz JNMSXWAQJXEIHI-HNNXBMFYSA-N 1 2 364.453 2.295 10 0 FEAELO Cc1ccc(N2CCC[N@H+]([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)nn1 ZINC000106073644 543190255 /nfs/dbraw/zinc/19/02/55/543190255.db2.gz JNMSXWAQJXEIHI-HNNXBMFYSA-N 1 2 364.453 2.295 10 0 FEAELO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084592 543193450 /nfs/dbraw/zinc/19/34/50/543193450.db2.gz AXRSUIFADRTBGT-ZDUSSCGKSA-N 1 2 374.876 2.453 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC000106091323 543194539 /nfs/dbraw/zinc/19/45/39/543194539.db2.gz PNCUUYOZXIZWCL-WMLDXEAASA-N 1 2 350.532 2.264 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N(C)Cc3ccccc3)CC2)s1 ZINC000106091659 543194862 /nfs/dbraw/zinc/19/48/62/543194862.db2.gz PGPYEMJJOQGZGR-UHFFFAOYSA-N 1 2 358.511 2.228 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)n1 ZINC000106133935 543206658 /nfs/dbraw/zinc/20/66/58/543206658.db2.gz UGTMETUUQGFRIY-LSDHHAIUSA-N 1 2 351.495 2.091 10 0 FEAELO CCc1noc([C@@H](C)N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)n1 ZINC000106136531 543207226 /nfs/dbraw/zinc/20/72/26/543207226.db2.gz WDEPOPYEAYWAFY-GFCCVEGCSA-N 1 2 372.395 2.270 10 0 FEAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000106157537 543210374 /nfs/dbraw/zinc/21/03/74/543210374.db2.gz AZDONYWTAIEIOT-PKOBYXMFSA-N 1 2 361.534 2.107 10 0 FEAELO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000106157537 543210377 /nfs/dbraw/zinc/21/03/77/543210377.db2.gz AZDONYWTAIEIOT-PKOBYXMFSA-N 1 2 361.534 2.107 10 0 FEAELO CCc1c(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)[nH]c(C)c1C(C)=O ZINC000106171270 543211833 /nfs/dbraw/zinc/21/18/33/543211833.db2.gz LCTRSSFKEMBJHC-OAHLLOKOSA-N 1 2 357.458 2.275 10 0 FEAELO CCc1c(C(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)[nH]c(C)c1C(C)=O ZINC000106171270 543211835 /nfs/dbraw/zinc/21/18/35/543211835.db2.gz LCTRSSFKEMBJHC-OAHLLOKOSA-N 1 2 357.458 2.275 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CCO2)c1 ZINC000106197787 543216855 /nfs/dbraw/zinc/21/68/55/543216855.db2.gz HEZDOFUJYNIOOH-QFBILLFUSA-N 1 2 374.460 2.079 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CCO2)c1 ZINC000106197787 543216857 /nfs/dbraw/zinc/21/68/57/543216857.db2.gz HEZDOFUJYNIOOH-QFBILLFUSA-N 1 2 374.460 2.079 10 0 FEAELO COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000106209741 543218705 /nfs/dbraw/zinc/21/87/05/543218705.db2.gz HUUCLNLEBQLAAO-QGZVFWFLSA-N 1 2 370.453 2.139 10 0 FEAELO COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000106209741 543218707 /nfs/dbraw/zinc/21/87/07/543218707.db2.gz HUUCLNLEBQLAAO-QGZVFWFLSA-N 1 2 370.453 2.139 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)nc[nH+]2)C1 ZINC000110111233 543349309 /nfs/dbraw/zinc/34/93/09/543349309.db2.gz NQLDXCNDQHCSMD-HNNXBMFYSA-N 1 2 355.442 2.268 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)[nH+]cn2)C1 ZINC000110111233 543349312 /nfs/dbraw/zinc/34/93/12/543349312.db2.gz NQLDXCNDQHCSMD-HNNXBMFYSA-N 1 2 355.442 2.268 10 0 FEAELO CNC(=O)c1cccc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000111714307 543413274 /nfs/dbraw/zinc/41/32/74/543413274.db2.gz UGCYUQMFFJSBNN-UHFFFAOYSA-N 1 2 373.482 2.161 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCOc3ccccc3)CC2)s1 ZINC000111797033 543415886 /nfs/dbraw/zinc/41/58/86/543415886.db2.gz OPEXQKIIKIPVJN-UHFFFAOYSA-N 1 2 360.483 2.358 10 0 FEAELO CCOc1cc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)ccc1OC ZINC000114450694 543516361 /nfs/dbraw/zinc/51/63/61/543516361.db2.gz XSRWGVLDCVBEHZ-OAHLLOKOSA-N 1 2 358.442 2.457 10 0 FEAELO CCOc1cc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)ccc1OC ZINC000114450694 543516362 /nfs/dbraw/zinc/51/63/62/543516362.db2.gz XSRWGVLDCVBEHZ-OAHLLOKOSA-N 1 2 358.442 2.457 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 ZINC000115389538 543563988 /nfs/dbraw/zinc/56/39/88/543563988.db2.gz QFTKNCYWPOKTRT-INIZCTEOSA-N 1 2 374.460 2.288 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000115389331 543564467 /nfs/dbraw/zinc/56/44/67/543564467.db2.gz AKAWDAIEQHRQQX-UHFFFAOYSA-N 1 2 366.387 2.412 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000115389276 543564598 /nfs/dbraw/zinc/56/45/98/543564598.db2.gz SBDGPBFYDIKQQS-KRWDZBQOSA-N 1 2 356.470 2.149 10 0 FEAELO CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000117286827 543627661 /nfs/dbraw/zinc/62/76/61/543627661.db2.gz CLNKSOQTMKGJCJ-INIZCTEOSA-N 1 2 372.469 2.064 10 0 FEAELO CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000117286827 543627664 /nfs/dbraw/zinc/62/76/64/543627664.db2.gz CLNKSOQTMKGJCJ-INIZCTEOSA-N 1 2 372.469 2.064 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000117522202 543635494 /nfs/dbraw/zinc/63/54/94/543635494.db2.gz PBPWRCQQJSRUBT-LLVKDONJSA-N 1 2 374.268 2.111 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000117522202 543635497 /nfs/dbraw/zinc/63/54/97/543635497.db2.gz PBPWRCQQJSRUBT-LLVKDONJSA-N 1 2 374.268 2.111 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000117521704 543635613 /nfs/dbraw/zinc/63/56/13/543635613.db2.gz ABUIKZPXOAVKDR-AWEZNQCLSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000117521704 543635618 /nfs/dbraw/zinc/63/56/18/543635618.db2.gz ABUIKZPXOAVKDR-AWEZNQCLSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C[C@H]1CC ZINC000116899289 543618994 /nfs/dbraw/zinc/61/89/94/543618994.db2.gz OMHJMQYOOVYUCC-QGZVFWFLSA-N 1 2 368.499 2.011 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C[C@H]1CC ZINC000116899289 543618997 /nfs/dbraw/zinc/61/89/97/543618997.db2.gz OMHJMQYOOVYUCC-QGZVFWFLSA-N 1 2 368.499 2.011 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000122656439 543716423 /nfs/dbraw/zinc/71/64/23/543716423.db2.gz VTYBQIHHASVEAJ-HZMBPMFUSA-N 1 2 358.269 2.368 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)c(F)cc2F)nc[nH+]1 ZINC000124150209 543804042 /nfs/dbraw/zinc/80/40/42/543804042.db2.gz AXPWMMBMSNLXEX-JTQLQIEISA-N 1 2 365.359 2.334 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)c(F)cc2F)[nH+]cn1 ZINC000124150209 543804045 /nfs/dbraw/zinc/80/40/45/543804045.db2.gz AXPWMMBMSNLXEX-JTQLQIEISA-N 1 2 365.359 2.334 10 0 FEAELO Cc1c(Cl)cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000124627235 543833375 /nfs/dbraw/zinc/83/33/75/543833375.db2.gz MAANKTZGGFPUBF-JTQLQIEISA-N 1 2 374.268 2.077 10 0 FEAELO Cc1cnn(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000129457687 544113788 /nfs/dbraw/zinc/11/37/88/544113788.db2.gz OHVSXPCVCHEUSM-DLBZAZTESA-N 1 2 363.412 2.214 10 0 FEAELO Cc1cnn(CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000129457687 544113790 /nfs/dbraw/zinc/11/37/90/544113790.db2.gz OHVSXPCVCHEUSM-DLBZAZTESA-N 1 2 363.412 2.214 10 0 FEAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(-c2ccccc2)ccc1Cl ZINC000132980536 544251046 /nfs/dbraw/zinc/25/10/46/544251046.db2.gz ONTJLBNKHCTKAA-KRWDZBQOSA-N 1 2 374.868 2.430 10 0 FEAELO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)c(F)c1 ZINC000135437378 544347079 /nfs/dbraw/zinc/34/70/79/544347079.db2.gz ZZPIHHYGIBEBDH-LBPRGKRZSA-N 1 2 362.405 2.183 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(F)cc2OCC(F)(F)F)C1 ZINC000151303435 544526574 /nfs/dbraw/zinc/52/65/74/544526574.db2.gz ZIMUHKCELXJPTA-LLVKDONJSA-N 1 2 365.327 2.219 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(F)cc2OCC(F)(F)F)C1 ZINC000151303435 544526578 /nfs/dbraw/zinc/52/65/78/544526578.db2.gz ZIMUHKCELXJPTA-LLVKDONJSA-N 1 2 365.327 2.219 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)Sc2ccccn2)nc[nH+]1 ZINC000152459476 544656683 /nfs/dbraw/zinc/65/66/83/544656683.db2.gz BPVGAMVAPNOISM-ZIAGYGMSSA-N 1 2 372.498 2.179 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)Sc2ccccn2)[nH+]cn1 ZINC000152459476 544656689 /nfs/dbraw/zinc/65/66/89/544656689.db2.gz BPVGAMVAPNOISM-ZIAGYGMSSA-N 1 2 372.498 2.179 10 0 FEAELO CCC[C@@H]1C[C@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCO1 ZINC000180080381 327670245 /nfs/dbraw/zinc/67/02/45/327670245.db2.gz GTERFMNSCWNDOD-AQNXPRMDSA-N 1 2 360.498 2.460 10 0 FEAELO CCOc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c2ncccc12 ZINC000186075481 327945698 /nfs/dbraw/zinc/94/56/98/327945698.db2.gz GYUUZTLDXNHTEU-CQSZACIVSA-N 1 2 358.442 2.476 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)c(OC)c2)nc[nH+]1 ZINC000187124881 328003568 /nfs/dbraw/zinc/00/35/68/328003568.db2.gz JFGBGQNESFFBIU-CYBMUJFWSA-N 1 2 374.420 2.457 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)c(OC)c2)[nH+]cn1 ZINC000187124881 328003569 /nfs/dbraw/zinc/00/35/69/328003569.db2.gz JFGBGQNESFFBIU-CYBMUJFWSA-N 1 2 374.420 2.457 10 0 FEAELO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000187370235 328020362 /nfs/dbraw/zinc/02/03/62/328020362.db2.gz NIRNAVQPKPWUTQ-SJORKVTESA-N 1 2 356.470 2.480 10 0 FEAELO O=C(Cc1ccc(F)cc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000187476832 328028747 /nfs/dbraw/zinc/02/87/47/328028747.db2.gz SGGVXWMIXYDCKH-AWEZNQCLSA-N 1 2 371.250 2.064 10 0 FEAELO O[C@H](CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1)CC(F)(F)F ZINC000189190357 328134012 /nfs/dbraw/zinc/13/40/12/328134012.db2.gz SAGHKBFXVQJCSO-KRWDZBQOSA-N 1 2 368.403 2.303 10 0 FEAELO C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)N1CCCCC1=O ZINC000189236962 328136634 /nfs/dbraw/zinc/13/66/34/328136634.db2.gz FAWSGDIODRORPX-KRWDZBQOSA-N 1 2 372.513 2.164 10 0 FEAELO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cs1 ZINC000189801527 328168796 /nfs/dbraw/zinc/16/87/96/328168796.db2.gz RTYPFUHJMWAEDF-SUMWQHHRSA-N 1 2 371.462 2.246 10 0 FEAELO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)CN2C(=O)c3ccccc3C2=O)cs1 ZINC000189801527 328168797 /nfs/dbraw/zinc/16/87/97/328168797.db2.gz RTYPFUHJMWAEDF-SUMWQHHRSA-N 1 2 371.462 2.246 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]nc3C3CC3)CC2)cn1 ZINC000190311588 328199470 /nfs/dbraw/zinc/19/94/70/328199470.db2.gz SCVCABZTXRUPGT-UHFFFAOYSA-N 1 2 356.474 2.242 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]nc3C3CC3)CC2)cn1 ZINC000190311588 328199471 /nfs/dbraw/zinc/19/94/71/328199471.db2.gz SCVCABZTXRUPGT-UHFFFAOYSA-N 1 2 356.474 2.242 10 0 FEAELO Cc1cnn(CCNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000190566091 328216563 /nfs/dbraw/zinc/21/65/63/328216563.db2.gz QLWIHAPYZJGCAE-UHFFFAOYSA-N 1 2 361.877 2.202 10 0 FEAELO Cc1cnn(CCNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000190566091 328216565 /nfs/dbraw/zinc/21/65/65/328216565.db2.gz QLWIHAPYZJGCAE-UHFFFAOYSA-N 1 2 361.877 2.202 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2oc(CC(C)C)nc2C)nc[nH+]1 ZINC000190522371 328213578 /nfs/dbraw/zinc/21/35/78/328213578.db2.gz JVGJCQMNUGHSNI-AWEZNQCLSA-N 1 2 372.473 2.412 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2oc(CC(C)C)nc2C)[nH+]cn1 ZINC000190522371 328213579 /nfs/dbraw/zinc/21/35/79/328213579.db2.gz JVGJCQMNUGHSNI-AWEZNQCLSA-N 1 2 372.473 2.412 10 0 FEAELO CCOc1cc(C)ccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190763593 328231026 /nfs/dbraw/zinc/23/10/26/328231026.db2.gz KKWVJIHAHPCQBD-OAHLLOKOSA-N 1 2 356.426 2.220 10 0 FEAELO O=C(Nc1cccc(OC(F)F)c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190762270 328231131 /nfs/dbraw/zinc/23/11/31/328231131.db2.gz ZBATYARQYOOXKS-CYBMUJFWSA-N 1 2 364.352 2.114 10 0 FEAELO CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)cn1 ZINC000190807480 328233618 /nfs/dbraw/zinc/23/36/18/328233618.db2.gz GZSRWYHKXRFTDE-QGZVFWFLSA-N 1 2 361.421 2.026 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3cc(N)ccc3F)CCO2)cn1 ZINC000190807480 328233620 /nfs/dbraw/zinc/23/36/20/328233620.db2.gz GZSRWYHKXRFTDE-QGZVFWFLSA-N 1 2 361.421 2.026 10 0 FEAELO COc1cc(OC)cc([C@H](NC(=O)[C@H]2CCCO[C@H]2C)c2[nH+]ccn2C)c1 ZINC000191644181 328275658 /nfs/dbraw/zinc/27/56/58/328275658.db2.gz MSKUXXNEQKRFDO-KKXDTOCCSA-N 1 2 373.453 2.458 10 0 FEAELO CCn1cc([C@@H]2CN(C(=O)Cn3c(C)[nH+]c4ccccc43)CCO2)cn1 ZINC000191772619 328281008 /nfs/dbraw/zinc/28/10/08/328281008.db2.gz RGJOJDBCJPKEOE-SFHVURJKSA-N 1 2 353.426 2.161 10 0 FEAELO CO[C@](C)(C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1F ZINC000192068604 328298006 /nfs/dbraw/zinc/29/80/06/328298006.db2.gz PIPRUPXAYUMUOZ-FQEVSTJZSA-N 1 2 374.460 2.155 10 0 FEAELO CO[C@](C)(C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1F ZINC000192068604 328298007 /nfs/dbraw/zinc/29/80/07/328298007.db2.gz PIPRUPXAYUMUOZ-FQEVSTJZSA-N 1 2 374.460 2.155 10 0 FEAELO CC(C)c1c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1 ZINC000192335806 328313940 /nfs/dbraw/zinc/31/39/40/328313940.db2.gz WJZQLQYRHHPUGE-MRXNPFEDSA-N 1 2 357.458 2.448 10 0 FEAELO CC(C)c1c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1 ZINC000192335806 328313942 /nfs/dbraw/zinc/31/39/42/328313942.db2.gz WJZQLQYRHHPUGE-MRXNPFEDSA-N 1 2 357.458 2.448 10 0 FEAELO Cn1nccc1C1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192562930 328325924 /nfs/dbraw/zinc/32/59/24/328325924.db2.gz LGZRAPDURZEMRY-UHFFFAOYSA-N 1 2 351.447 2.213 10 0 FEAELO Cc1c(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cnn1C1CCCC1 ZINC000194204951 328415305 /nfs/dbraw/zinc/41/53/05/328415305.db2.gz BSUQSVHWZDNEBT-MRXNPFEDSA-N 1 2 370.457 2.133 10 0 FEAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000083713881 325222504 /nfs/dbraw/zinc/22/25/04/325222504.db2.gz FWUPTVHWAJPYJD-HNNXBMFYSA-N 1 2 351.414 2.107 10 0 FEAELO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCCn3nc(C)nc32)c1C ZINC000083740156 325224303 /nfs/dbraw/zinc/22/43/03/325224303.db2.gz VWJPOMIVLUMABJ-AWEZNQCLSA-N 1 2 358.446 2.283 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cc(F)ccc1F ZINC000107075428 325619545 /nfs/dbraw/zinc/61/95/45/325619545.db2.gz QQJGKWVNWFDRJN-UHFFFAOYSA-N 1 2 357.382 2.296 10 0 FEAELO COC(=O)N[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C(C)C ZINC000108173811 325638585 /nfs/dbraw/zinc/63/85/85/325638585.db2.gz NAJCQTHVNJSENH-QGZVFWFLSA-N 1 2 362.474 2.459 10 0 FEAELO COCc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000109645222 325672147 /nfs/dbraw/zinc/67/21/47/325672147.db2.gz YVOCEWOWEPPOQQ-HXUWFJFHSA-N 1 2 354.450 2.324 10 0 FEAELO CC[C@@H](O)CN1CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000118857166 326108555 /nfs/dbraw/zinc/10/85/55/326108555.db2.gz KHVVEIOVCMRHOD-OAHLLOKOSA-N 1 2 351.516 2.126 10 0 FEAELO O=C(Cc1cc(F)ccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000119108326 326128111 /nfs/dbraw/zinc/12/81/11/326128111.db2.gz RGEQFFFPOZYQLZ-CQSZACIVSA-N 1 2 371.250 2.064 10 0 FEAELO CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000119535899 326172766 /nfs/dbraw/zinc/17/27/66/326172766.db2.gz QRZAQZCYDPLFEK-AWEZNQCLSA-N 1 2 369.893 2.279 10 0 FEAELO C[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000119601904 326179759 /nfs/dbraw/zinc/17/97/59/326179759.db2.gz VHEUQYHWVDAXDT-DOMZBBRYSA-N 1 2 355.276 2.390 10 0 FEAELO C[C@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1 ZINC000119601904 326179760 /nfs/dbraw/zinc/17/97/60/326179760.db2.gz VHEUQYHWVDAXDT-DOMZBBRYSA-N 1 2 355.276 2.390 10 0 FEAELO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120329616 326249831 /nfs/dbraw/zinc/24/98/31/326249831.db2.gz VNNSCFJWUBILLG-JKSUJKDBSA-N 1 2 360.502 2.286 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)n1 ZINC000121273852 326326336 /nfs/dbraw/zinc/32/63/36/326326336.db2.gz TWZDCMPZXXPOIM-CQSZACIVSA-N 1 2 367.457 2.052 10 0 FEAELO CC(C)C(=O)NCCCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000126524264 326490553 /nfs/dbraw/zinc/49/05/53/326490553.db2.gz OPHFKURHJUFLGH-OAHLLOKOSA-N 1 2 357.458 2.395 10 0 FEAELO Cc1cc(F)ccc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000151170389 326676465 /nfs/dbraw/zinc/67/64/65/326676465.db2.gz LEHGUWYKWVXSNO-SFHVURJKSA-N 1 2 372.440 2.332 10 0 FEAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(N2CCCC2)c1 ZINC000151333267 326679963 /nfs/dbraw/zinc/67/99/63/326679963.db2.gz IDRNCERLWCVVAZ-XLIONFOSSA-N 1 2 372.513 2.464 10 0 FEAELO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152645976 326713001 /nfs/dbraw/zinc/71/30/01/326713001.db2.gz DIMRNJJTNLWWLO-JKSUJKDBSA-N 1 2 374.485 2.424 10 0 FEAELO O=C(Cc1ccc(Br)c(F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000156654422 326839235 /nfs/dbraw/zinc/83/92/35/326839235.db2.gz NYSMPWRYGQEXPM-CYBMUJFWSA-N 1 2 371.250 2.064 10 0 FEAELO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1 ZINC000157105525 326854970 /nfs/dbraw/zinc/85/49/70/326854970.db2.gz NKPZJILSVQDCLB-QGZVFWFLSA-N 1 2 355.442 2.119 10 0 FEAELO COCCC1(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000162179295 327018928 /nfs/dbraw/zinc/01/89/28/327018928.db2.gz OLDAJZWIXGHPNU-OAHLLOKOSA-N 1 2 352.500 2.397 10 0 FEAELO CN(Cc1nnc(C2CC2)n1C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000170944503 327109208 /nfs/dbraw/zinc/10/92/08/327109208.db2.gz SOUUVHAMQRYTCI-OAHLLOKOSA-N 1 2 361.515 2.259 10 0 FEAELO Cn1c(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)nnc1C1CC1 ZINC000170944503 327109210 /nfs/dbraw/zinc/10/92/10/327109210.db2.gz SOUUVHAMQRYTCI-OAHLLOKOSA-N 1 2 361.515 2.259 10 0 FEAELO Cn1c(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)nnc1C1CC1 ZINC000170944503 327109211 /nfs/dbraw/zinc/10/92/11/327109211.db2.gz SOUUVHAMQRYTCI-OAHLLOKOSA-N 1 2 361.515 2.259 10 0 FEAELO CC(C)n1nnnc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000171110334 327118849 /nfs/dbraw/zinc/11/88/49/327118849.db2.gz IZJJEOQQHDQYKC-UHFFFAOYSA-N 1 2 354.418 2.079 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(-c3c(F)cccc3F)n2)C1 ZINC000171135504 327120212 /nfs/dbraw/zinc/12/02/12/327120212.db2.gz NZQFDDBOKBUGTM-JTQLQIEISA-N 1 2 353.394 2.149 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2csc(-c3c(F)cccc3F)n2)C1 ZINC000171135504 327120213 /nfs/dbraw/zinc/12/02/13/327120213.db2.gz NZQFDDBOKBUGTM-JTQLQIEISA-N 1 2 353.394 2.149 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1 ZINC000171407283 327137773 /nfs/dbraw/zinc/13/77/73/327137773.db2.gz LRGNMIFLIFBOSL-OAHLLOKOSA-N 1 2 356.426 2.474 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1 ZINC000171407283 327137775 /nfs/dbraw/zinc/13/77/75/327137775.db2.gz LRGNMIFLIFBOSL-OAHLLOKOSA-N 1 2 356.426 2.474 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C(=O)N(C)C)c3ccccc3)CCO2)n1 ZINC000171517390 327143540 /nfs/dbraw/zinc/14/35/40/327143540.db2.gz QFYWBDUXYHAAOJ-OALUTQOASA-N 1 2 356.470 2.030 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C(=O)N(C)C)c3ccccc3)CCO2)n1 ZINC000171517390 327143542 /nfs/dbraw/zinc/14/35/42/327143542.db2.gz QFYWBDUXYHAAOJ-OALUTQOASA-N 1 2 356.470 2.030 10 0 FEAELO Cc1ccccc1CCNC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000171675449 327154318 /nfs/dbraw/zinc/15/43/18/327154318.db2.gz FQKRNHGAMHELMA-UHFFFAOYSA-N 1 2 363.483 2.046 10 0 FEAELO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171797589 327161880 /nfs/dbraw/zinc/16/18/80/327161880.db2.gz XQSHVYYWQRTNBD-PKOBYXMFSA-N 1 2 366.465 2.374 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cnc4ccccc4n3)CC2)cn1 ZINC000171817647 327163557 /nfs/dbraw/zinc/16/35/57/327163557.db2.gz BWWLLBOOQDTNHO-UHFFFAOYSA-N 1 2 364.453 2.194 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cnc4ccccc4n3)CC2)cn1 ZINC000171817647 327163558 /nfs/dbraw/zinc/16/35/58/327163558.db2.gz BWWLLBOOQDTNHO-UHFFFAOYSA-N 1 2 364.453 2.194 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(c3ccc(C(=O)N(C)C)cn3)CC2)cs1 ZINC000172015218 327176000 /nfs/dbraw/zinc/17/60/00/327176000.db2.gz XFLKALBDTNRNHY-UHFFFAOYSA-N 1 2 359.499 2.261 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(c3ccc(C(=O)N(C)C)cn3)CC2)cs1 ZINC000172015218 327176002 /nfs/dbraw/zinc/17/60/02/327176002.db2.gz XFLKALBDTNRNHY-UHFFFAOYSA-N 1 2 359.499 2.261 10 0 FEAELO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)n1 ZINC000172302305 327194344 /nfs/dbraw/zinc/19/43/44/327194344.db2.gz MREHVUJLZQEGGT-MRXNPFEDSA-N 1 2 352.442 2.024 10 0 FEAELO CCC[N@@H+](CC(=O)OC)C[C@@H](O)COc1cccc(Br)c1 ZINC000172731180 327215896 /nfs/dbraw/zinc/21/58/96/327215896.db2.gz PMCGMXNTEYKUTL-CYBMUJFWSA-N 1 2 360.248 2.074 10 0 FEAELO CCC[N@H+](CC(=O)OC)C[C@@H](O)COc1cccc(Br)c1 ZINC000172731180 327215897 /nfs/dbraw/zinc/21/58/97/327215897.db2.gz PMCGMXNTEYKUTL-CYBMUJFWSA-N 1 2 360.248 2.074 10 0 FEAELO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172745190 327216285 /nfs/dbraw/zinc/21/62/85/327216285.db2.gz LIYSKGWONWOWQK-HOCLYGCPSA-N 1 2 352.862 2.349 10 0 FEAELO CCc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccc(F)cc1 ZINC000172743976 327216292 /nfs/dbraw/zinc/21/62/92/327216292.db2.gz SSIZPQQUKPOULW-QGZVFWFLSA-N 1 2 372.444 2.121 10 0 FEAELO COc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1OCC(C)C ZINC000172754904 327217144 /nfs/dbraw/zinc/21/71/44/327217144.db2.gz NANRNSPYSVIUKX-KRWDZBQOSA-N 1 2 362.470 2.277 10 0 FEAELO O=C(c1cccc(Oc2ccncc2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172769036 327217830 /nfs/dbraw/zinc/21/78/30/327217830.db2.gz ZYWHOYLVPRBSLH-QGZVFWFLSA-N 1 2 353.422 2.421 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2ccc(F)cc2)nc[nH+]1 ZINC000173290037 327247509 /nfs/dbraw/zinc/24/75/09/327247509.db2.gz CJNCAIHCNVDPQY-INIZCTEOSA-N 1 2 372.448 2.168 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2ccc(F)cc2)[nH+]cn1 ZINC000173290037 327247510 /nfs/dbraw/zinc/24/75/10/327247510.db2.gz CJNCAIHCNVDPQY-INIZCTEOSA-N 1 2 372.448 2.168 10 0 FEAELO CCCN(CC(F)F)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173421316 327255148 /nfs/dbraw/zinc/25/51/48/327255148.db2.gz PVULCZYKTSNCJK-LBPRGKRZSA-N 1 2 356.421 2.174 10 0 FEAELO CCCN(CC(F)F)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173421316 327255149 /nfs/dbraw/zinc/25/51/49/327255149.db2.gz PVULCZYKTSNCJK-LBPRGKRZSA-N 1 2 356.421 2.174 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)c2ccncc2)nc[nH+]1 ZINC000173419324 327255299 /nfs/dbraw/zinc/25/52/99/327255299.db2.gz DNCFUDIPBQZCPD-GOEBONIOSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)c2ccncc2)[nH+]cn1 ZINC000173419324 327255300 /nfs/dbraw/zinc/25/53/00/327255300.db2.gz DNCFUDIPBQZCPD-GOEBONIOSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CCc2cccs2)nc[nH+]1 ZINC000173426276 327255890 /nfs/dbraw/zinc/25/58/90/327255890.db2.gz LYMZPMIKSHCIRJ-CQSZACIVSA-N 1 2 374.514 2.433 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CCc2cccs2)[nH+]cn1 ZINC000173426276 327255892 /nfs/dbraw/zinc/25/58/92/327255892.db2.gz LYMZPMIKSHCIRJ-CQSZACIVSA-N 1 2 374.514 2.433 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOc2ccccc2F)nc[nH+]1 ZINC000173429394 327256276 /nfs/dbraw/zinc/25/62/76/327256276.db2.gz GQOXMMPECDNOFQ-AWEZNQCLSA-N 1 2 373.432 2.212 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOc2ccccc2F)[nH+]cn1 ZINC000173429394 327256277 /nfs/dbraw/zinc/25/62/77/327256277.db2.gz GQOXMMPECDNOFQ-AWEZNQCLSA-N 1 2 373.432 2.212 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)C2)n1 ZINC000173483230 327260625 /nfs/dbraw/zinc/26/06/25/327260625.db2.gz YUQKEXZXTSLSFN-UKRRQHHQSA-N 1 2 352.504 2.061 10 0 FEAELO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)ccc2o1 ZINC000173658315 327274265 /nfs/dbraw/zinc/27/42/65/327274265.db2.gz JSFOCNCSTFRQJK-INIZCTEOSA-N 1 2 356.382 2.219 10 0 FEAELO COC(=O)c1cc2cc(C[N@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)ccc2o1 ZINC000173658315 327274266 /nfs/dbraw/zinc/27/42/66/327274266.db2.gz JSFOCNCSTFRQJK-INIZCTEOSA-N 1 2 356.382 2.219 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](C[C@H](O)COc3cccc4ccccc43)CCO2)[nH]1 ZINC000173657158 327274277 /nfs/dbraw/zinc/27/42/77/327274277.db2.gz AKJXTBJDMIDLNA-LPHOPBHVSA-N 1 2 368.437 2.080 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](C[C@H](O)COc3cccc4ccccc43)CCO2)[nH]1 ZINC000173657158 327274278 /nfs/dbraw/zinc/27/42/78/327274278.db2.gz AKJXTBJDMIDLNA-LPHOPBHVSA-N 1 2 368.437 2.080 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)CCO2)[nH]1 ZINC000173675198 327275672 /nfs/dbraw/zinc/27/56/72/327275672.db2.gz XTOLSJHYPLXNOB-AWEZNQCLSA-N 1 2 374.832 2.433 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)CCO2)[nH]1 ZINC000173675198 327275674 /nfs/dbraw/zinc/27/56/74/327275674.db2.gz XTOLSJHYPLXNOB-AWEZNQCLSA-N 1 2 374.832 2.433 10 0 FEAELO CCOC(=O)[C@@H](CC)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000173685430 327276751 /nfs/dbraw/zinc/27/67/51/327276751.db2.gz PMJDYFRGRMRTHO-LJQANCHMSA-N 1 2 356.470 2.332 10 0 FEAELO CCc1nc(C2([NH2+]CCN3C(=O)c4ccccc4C3=O)CCCC2)no1 ZINC000173697514 327277863 /nfs/dbraw/zinc/27/78/63/327277863.db2.gz SOUPEFFRQRGKJN-UHFFFAOYSA-N 1 2 354.410 2.287 10 0 FEAELO O=C(N[C@H]1CCSc2c(F)cccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173786204 327283954 /nfs/dbraw/zinc/28/39/54/327283954.db2.gz OKWUDWLCOWTIND-CJNGLKHVSA-N 1 2 365.474 2.479 10 0 FEAELO Cc1nc(-c2c[nH]c(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c2)cs1 ZINC000173805981 327285460 /nfs/dbraw/zinc/28/54/60/327285460.db2.gz OSWGSDWVCGSOJO-YVEFUNNKSA-N 1 2 360.483 2.239 10 0 FEAELO Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173804934 327285543 /nfs/dbraw/zinc/28/55/43/327285543.db2.gz QMJUMUSLJNIETQ-KSSFIOAISA-N 1 2 371.485 2.113 10 0 FEAELO CCOc1ccc2cc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)[nH]c2c1 ZINC000173819204 327286239 /nfs/dbraw/zinc/28/62/39/327286239.db2.gz PCQIHVFVXRUZKL-IFXJQAMLSA-N 1 2 357.454 2.359 10 0 FEAELO O=C(NCc1ccc(Br)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173835355 327287833 /nfs/dbraw/zinc/28/78/33/327287833.db2.gz WJBZRWCLXSIPFA-HNNXBMFYSA-N 1 2 368.275 2.065 10 0 FEAELO COc1ccc(S[C@H](C)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173840619 327287991 /nfs/dbraw/zinc/28/79/91/327287991.db2.gz VFCZBVXGCRCVIH-RKVPGOIHSA-N 1 2 364.511 2.355 10 0 FEAELO C[C@H]1CN(C(=O)CCC(=O)c2ccc(Cl)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173838841 327288068 /nfs/dbraw/zinc/28/80/68/327288068.db2.gz SEFCHIUKTWGZKC-YOEHRIQHSA-N 1 2 364.873 2.482 10 0 FEAELO CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1OCC ZINC000173848964 327288876 /nfs/dbraw/zinc/28/88/76/327288876.db2.gz BPIGHNITACXJIB-RDJZCZTQSA-N 1 2 362.470 2.277 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)on2)cc1 ZINC000173887889 327291946 /nfs/dbraw/zinc/29/19/46/327291946.db2.gz MRTLTZZRKKIHPJ-CRAIPNDOSA-N 1 2 355.438 2.443 10 0 FEAELO O=C(NCC1(Sc2ccccc2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173909114 327293715 /nfs/dbraw/zinc/29/37/15/327293715.db2.gz NYNWFJKZEFSULS-INIZCTEOSA-N 1 2 361.511 2.427 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000173961012 327298021 /nfs/dbraw/zinc/29/80/21/327298021.db2.gz XMCDXEFUTWKRQT-PKOBYXMFSA-N 1 2 372.513 2.111 10 0 FEAELO C[C@@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000173973036 327299064 /nfs/dbraw/zinc/29/90/64/327299064.db2.gz PZPGFJVABWKVDU-UZLBHIALSA-N 1 2 370.493 2.317 10 0 FEAELO Cc1cc(C(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(C)n1CC(F)(F)F ZINC000173984682 327299713 /nfs/dbraw/zinc/29/97/13/327299713.db2.gz LCSYVFXDFGRFRW-HNNXBMFYSA-N 1 2 373.419 2.256 10 0 FEAELO Cc1cc(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)c(C)n1CC(F)(F)F ZINC000173984682 327299714 /nfs/dbraw/zinc/29/97/14/327299714.db2.gz LCSYVFXDFGRFRW-HNNXBMFYSA-N 1 2 373.419 2.256 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2cccs2)nc[nH+]1 ZINC000174000120 327300570 /nfs/dbraw/zinc/30/05/70/327300570.db2.gz BFWVHJNTXYLPBE-ZDUSSCGKSA-N 1 2 360.487 2.091 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2cccs2)[nH+]cn1 ZINC000174000120 327300572 /nfs/dbraw/zinc/30/05/72/327300572.db2.gz BFWVHJNTXYLPBE-ZDUSSCGKSA-N 1 2 360.487 2.091 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccccc2OC)nc[nH+]1 ZINC000174157620 327309321 /nfs/dbraw/zinc/30/93/21/327309321.db2.gz FWUVNVOCZRRPRV-ZDUSSCGKSA-N 1 2 356.430 2.317 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccccc2OC)[nH+]cn1 ZINC000174157620 327309322 /nfs/dbraw/zinc/30/93/22/327309322.db2.gz FWUVNVOCZRRPRV-ZDUSSCGKSA-N 1 2 356.430 2.317 10 0 FEAELO CC(=O)N1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000174206066 327313130 /nfs/dbraw/zinc/31/31/30/327313130.db2.gz DJXQJDFZAZYJDO-AWEZNQCLSA-N 1 2 355.442 2.243 10 0 FEAELO CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176049901 327430495 /nfs/dbraw/zinc/43/04/95/327430495.db2.gz SWIHTWOGIKSHSM-UAGQMJEPSA-N 1 2 350.434 2.162 10 0 FEAELO COc1ccc(NC(=O)C[S@](=O)Cc2[nH+]ccn2C(C)C)c(OC)c1 ZINC000176882378 327481538 /nfs/dbraw/zinc/48/15/38/327481538.db2.gz ZBLKFBKQKMTGNR-RUZDIDTESA-N 1 2 365.455 2.369 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)N1CCc2sccc2C1 ZINC000176887938 327482081 /nfs/dbraw/zinc/48/20/81/327482081.db2.gz YSGXYSXOXUVLDG-HSZRJFAPSA-N 1 2 351.497 2.359 10 0 FEAELO CCNC(=O)c1cccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177419727 327520914 /nfs/dbraw/zinc/52/09/14/327520914.db2.gz SIATVCMKDKEEHH-QGZVFWFLSA-N 1 2 355.442 2.007 10 0 FEAELO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000177586660 327532123 /nfs/dbraw/zinc/53/21/23/327532123.db2.gz LUTZLPOICLRZED-OAHLLOKOSA-N 1 2 370.434 2.052 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)n1 ZINC000247810589 328702529 /nfs/dbraw/zinc/70/25/29/328702529.db2.gz UVHQWWMTFDXILW-OAGGEKHMSA-N 1 2 371.485 2.323 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000261470857 328803327 /nfs/dbraw/zinc/80/33/27/328803327.db2.gz VUVCHONFFZGFQL-DOMZBBRYSA-N 1 2 361.446 2.253 10 0 FEAELO CNC(=O)c1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccccn2)s1 ZINC000082039382 521858301 /nfs/dbraw/zinc/85/83/01/521858301.db2.gz NWZDDSFOMPTLRC-OAHLLOKOSA-N 1 2 372.494 2.298 10 0 FEAELO CNC(=O)c1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccccn2)s1 ZINC000082039382 521858310 /nfs/dbraw/zinc/85/83/10/521858310.db2.gz NWZDDSFOMPTLRC-OAHLLOKOSA-N 1 2 372.494 2.298 10 0 FEAELO Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172761005 546266869 /nfs/dbraw/zinc/26/68/69/546266869.db2.gz MIBHUZSFZGFTKX-KRWDZBQOSA-N 1 2 353.466 2.327 10 0 FEAELO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173800365 546286404 /nfs/dbraw/zinc/28/64/04/546286404.db2.gz AKZKYLNHYYAGTM-MRXNPFEDSA-N 1 2 356.470 2.135 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(Cl)cn2)nc[nH+]1 ZINC000175884025 546366766 /nfs/dbraw/zinc/36/67/66/546366766.db2.gz MCKKQEJZJLSGCB-GFCCVEGCSA-N 1 2 361.837 2.357 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(Cl)cn2)[nH+]cn1 ZINC000175884025 546366769 /nfs/dbraw/zinc/36/67/69/546366769.db2.gz MCKKQEJZJLSGCB-GFCCVEGCSA-N 1 2 361.837 2.357 10 0 FEAELO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)n[nH]1 ZINC000177184906 546564965 /nfs/dbraw/zinc/56/49/65/546564965.db2.gz VAZAMCWQJJEBLK-OAHLLOKOSA-N 1 2 367.457 2.237 10 0 FEAELO O=C(N[C@@H]1CCCn2ncnc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000177381324 546605916 /nfs/dbraw/zinc/60/59/16/546605916.db2.gz MIDSZGQQPGRJKV-MRXNPFEDSA-N 1 2 374.876 2.294 10 0 FEAELO C[C@@H]1CN(C(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1[NH+]1CCOCC1 ZINC000177785123 546686016 /nfs/dbraw/zinc/68/60/16/546686016.db2.gz NNNKXXCWQUUSST-VXGBXAGGSA-N 1 2 353.492 2.020 10 0 FEAELO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(S(C)(=O)=O)cc1 ZINC000178648150 546827086 /nfs/dbraw/zinc/82/70/86/546827086.db2.gz WVJUDPVACGNCJM-AWEZNQCLSA-N 1 2 364.471 2.079 10 0 FEAELO CC(C)(C)OC(=O)c1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000179506958 546968024 /nfs/dbraw/zinc/96/80/24/546968024.db2.gz DIPLSRXYJLRHJM-KRWDZBQOSA-N 1 2 360.454 2.189 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000179764037 547010871 /nfs/dbraw/zinc/01/08/71/547010871.db2.gz PMMAWJCIUUXHAI-GFCCVEGCSA-N 1 2 369.252 2.240 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000179764037 547010873 /nfs/dbraw/zinc/01/08/73/547010873.db2.gz PMMAWJCIUUXHAI-GFCCVEGCSA-N 1 2 369.252 2.240 10 0 FEAELO CCCCc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000180252881 547072979 /nfs/dbraw/zinc/07/29/79/547072979.db2.gz BYPPRAJMRDYEPU-APWZRJJASA-N 1 2 373.497 2.147 10 0 FEAELO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)nn1-c1cc(C)cc(C)c1 ZINC000180474837 547114276 /nfs/dbraw/zinc/11/42/76/547114276.db2.gz AHQSXVCJNRWKFG-GOSISDBHSA-N 1 2 368.481 2.344 10 0 FEAELO Cc1ncc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000180517918 547122941 /nfs/dbraw/zinc/12/29/41/547122941.db2.gz CTCWNKOMCQCSDN-WBMJQRKESA-N 1 2 360.483 2.347 10 0 FEAELO Cc1ncc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000180517918 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549547932 /nfs/dbraw/zinc/54/79/32/549547932.db2.gz SDDIPNYRVSPIGS-INIZCTEOSA-N 1 2 358.467 2.002 10 0 FEAELO O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249084587 549547934 /nfs/dbraw/zinc/54/79/34/549547934.db2.gz SDDIPNYRVSPIGS-INIZCTEOSA-N 1 2 358.467 2.002 10 0 FEAELO C[C@H](O)[C@@](C)(CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)Cc1ccccc1 ZINC000253353394 549682777 /nfs/dbraw/zinc/68/27/77/549682777.db2.gz UUGZHHHTALOBMO-DJPFJPOOSA-N 1 2 370.497 2.479 10 0 FEAELO C[C@H](O)[C@@](C)(CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000253353394 549682779 /nfs/dbraw/zinc/68/27/79/549682779.db2.gz UUGZHHHTALOBMO-DJPFJPOOSA-N 1 2 370.497 2.479 10 0 FEAELO C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263107377 549878247 /nfs/dbraw/zinc/87/82/47/549878247.db2.gz ABWYIIVMXFLHJR-XHDPSFHLSA-N 1 2 359.367 2.167 10 0 FEAELO C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2cc[nH+]c3cc(F)c(Cl)cc32)CCO1 ZINC000263378960 549898631 /nfs/dbraw/zinc/89/86/31/549898631.db2.gz 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CCOCC[N@@H+]1CCN(S(=O)(=O)/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000255507082 672892093 /nfs/dbraw/zinc/89/20/93/672892093.db2.gz OOYQXNPGUKYSHC-ODDCISTRSA-N 1 2 356.463 2.169 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)/C=C\c2ccc(F)cc2)C[C@@H]1C ZINC000255507082 672892099 /nfs/dbraw/zinc/89/20/99/672892099.db2.gz OOYQXNPGUKYSHC-ODDCISTRSA-N 1 2 356.463 2.169 10 0 FEAELO CC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Br)CC1 ZINC000026511541 539787997 /nfs/dbraw/zinc/78/79/97/539787997.db2.gz PMVCKHACNZQUGU-UHFFFAOYSA-N 1 2 363.259 2.137 10 0 FEAELO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cccnc1 ZINC000032501875 209848801 /nfs/dbraw/zinc/84/88/01/209848801.db2.gz BKIWWJKMGSEGNQ-UHFFFAOYSA-N 1 2 351.410 2.016 10 0 FEAELO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cc2ccccn2n1 ZINC000032951712 539961228 /nfs/dbraw/zinc/96/12/28/539961228.db2.gz WLTAGBPOVBJIDW-UHFFFAOYSA-N 1 2 367.428 2.025 10 0 FEAELO O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045276989 540208629 /nfs/dbraw/zinc/20/86/29/540208629.db2.gz 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206953808 /nfs/dbraw/zinc/95/38/08/206953808.db2.gz LRNAAPMBEVJCSY-SFHVURJKSA-N 1 2 352.438 2.416 10 0 FEAELO O=c1[nH]c(N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)ncc1F ZINC000011821608 207323335 /nfs/dbraw/zinc/32/33/35/207323335.db2.gz VKDPVGCWUKLXRO-INIZCTEOSA-N 1 2 357.433 2.455 10 0 FEAELO C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000012074879 207335271 /nfs/dbraw/zinc/33/52/71/207335271.db2.gz JMGPQDMEZPWJOE-HXUWFJFHSA-N 1 2 365.477 2.078 10 0 FEAELO C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000012074879 207335273 /nfs/dbraw/zinc/33/52/73/207335273.db2.gz JMGPQDMEZPWJOE-HXUWFJFHSA-N 1 2 365.477 2.078 10 0 FEAELO C[C@@H](CNC(=O)Nc1ccc(F)cc1OCC1CC1)[NH+]1CCOCC1 ZINC000077724366 542412341 /nfs/dbraw/zinc/41/23/41/542412341.db2.gz NGEBMPFPOFVYMG-ZDUSSCGKSA-N 1 2 351.422 2.457 10 0 FEAELO COC(=O)CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1C ZINC000092831573 542890588 /nfs/dbraw/zinc/89/05/88/542890588.db2.gz LYDZRAIZWTUIJA-OAHLLOKOSA-N 1 2 364.471 2.093 10 0 FEAELO COC(=O)CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1C ZINC000092831573 542890590 /nfs/dbraw/zinc/89/05/90/542890590.db2.gz LYDZRAIZWTUIJA-OAHLLOKOSA-N 1 2 364.471 2.093 10 0 FEAELO Cc1cc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)nc(C(C)C)[nH+]1 ZINC000092946258 542898188 /nfs/dbraw/zinc/89/81/88/542898188.db2.gz YTABRUNCHVLNLE-UHFFFAOYSA-N 1 2 355.442 2.450 10 0 FEAELO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000098113338 543022267 /nfs/dbraw/zinc/02/22/67/543022267.db2.gz QROMMQSWLYUMLH-CZUORRHYSA-N 1 2 374.403 2.008 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000101565297 543034443 /nfs/dbraw/zinc/03/44/43/543034443.db2.gz GONQDLDRSYESLB-INIZCTEOSA-N 1 2 351.878 2.337 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000101565297 543034445 /nfs/dbraw/zinc/03/44/45/543034445.db2.gz GONQDLDRSYESLB-INIZCTEOSA-N 1 2 351.878 2.337 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000103478290 543110922 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FEAELO CC(=O)Nc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000105282632 543169600 /nfs/dbraw/zinc/16/96/00/543169600.db2.gz TZGYBSBIOJUDRO-LBPRGKRZSA-N 1 2 374.363 2.116 10 0 FEAELO CC(=O)Nc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000105282632 543169602 /nfs/dbraw/zinc/16/96/02/543169602.db2.gz TZGYBSBIOJUDRO-LBPRGKRZSA-N 1 2 374.363 2.116 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(NC(C)=O)c3)CC2)n1 ZINC000106136888 543207150 /nfs/dbraw/zinc/20/71/50/543207150.db2.gz ULAVNYGJWQEDQE-CQSZACIVSA-N 1 2 357.458 2.469 10 0 FEAELO C[N@@H+](CC(=O)NC1CCCC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162146 543211306 /nfs/dbraw/zinc/21/13/06/543211306.db2.gz ZNRALYVYRMSUPZ-INIZCTEOSA-N 1 2 351.516 2.112 10 0 FEAELO C[N@H+](CC(=O)NC1CCCC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162146 543211308 /nfs/dbraw/zinc/21/13/08/543211308.db2.gz ZNRALYVYRMSUPZ-INIZCTEOSA-N 1 2 351.516 2.112 10 0 FEAELO CCN(C(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1)c1ccccc1 ZINC000106197021 543217034 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CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202632 543507670 /nfs/dbraw/zinc/50/76/70/543507670.db2.gz CEJROFIIGFTDIV-KRWDZBQOSA-N 1 2 355.442 2.277 10 0 FEAELO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202632 543507672 /nfs/dbraw/zinc/50/76/72/543507672.db2.gz CEJROFIIGFTDIV-KRWDZBQOSA-N 1 2 355.442 2.277 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCOCc2ccccc2)CC1 ZINC000115387422 543564544 /nfs/dbraw/zinc/56/45/44/543564544.db2.gz DVOSTFJLRKOZRS-UHFFFAOYSA-N 1 2 370.497 2.288 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000115387450 543564594 /nfs/dbraw/zinc/56/45/94/543564594.db2.gz RVODPBWIHFGATF-GOSISDBHSA-N 1 2 368.481 2.247 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCc2ccccc2C)CC1 ZINC000115786743 543585283 /nfs/dbraw/zinc/58/52/83/543585283.db2.gz YHIINBOUGRXBDV-UHFFFAOYSA-N 1 2 355.486 2.373 10 0 FEAELO COc1c(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c(C)nn1C ZINC000129052105 544088138 /nfs/dbraw/zinc/08/81/38/544088138.db2.gz FVKKLPPATXJMLL-UHFFFAOYSA-N 1 2 356.470 2.394 10 0 FEAELO COc1c(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c(C)nn1C ZINC000129052105 544088140 /nfs/dbraw/zinc/08/81/40/544088140.db2.gz FVKKLPPATXJMLL-UHFFFAOYSA-N 1 2 356.470 2.394 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000130844919 544167745 /nfs/dbraw/zinc/16/77/45/544167745.db2.gz KFIXDTYOECPTMD-IUODEOHRSA-N 1 2 355.276 2.075 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000130844919 544167747 /nfs/dbraw/zinc/16/77/47/544167747.db2.gz KFIXDTYOECPTMD-IUODEOHRSA-N 1 2 355.276 2.075 10 0 FEAELO O=C(NCC1(c2ccccc2Cl)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000134530361 544312101 /nfs/dbraw/zinc/31/21/01/544312101.db2.gz ODKGNPACGJHQQS-OAHLLOKOSA-N 1 2 363.889 2.488 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(N(C)C)cc2F)CC1 ZINC000151687797 544569317 /nfs/dbraw/zinc/56/93/17/544569317.db2.gz XVMYRQRUUBVRHP-UHFFFAOYSA-N 1 2 373.476 2.200 10 0 FEAELO 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Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C)n1-c1nccs1 ZINC000172753723 327217069 /nfs/dbraw/zinc/21/70/69/327217069.db2.gz JWGBSWZNAFYEIC-OAHLLOKOSA-N 1 2 360.483 2.097 10 0 FEAELO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756588 327217215 /nfs/dbraw/zinc/21/72/15/327217215.db2.gz LDXKYMINDFKUAU-KRWDZBQOSA-N 1 2 360.845 2.072 10 0 FEAELO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2)n1 ZINC000172754789 327217251 /nfs/dbraw/zinc/21/72/51/327217251.db2.gz VPWLFSMSRXKLAT-LJQANCHMSA-N 1 2 354.454 2.036 10 0 FEAELO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c2c(n1)onc2C(C)C ZINC000172764204 327217609 /nfs/dbraw/zinc/21/76/09/327217609.db2.gz JQPLYGUMNKPQFM-CQSZACIVSA-N 1 2 358.442 2.201 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3SCCc4ccccc43)CC2)cn1 ZINC000173094575 327234778 /nfs/dbraw/zinc/23/47/78/327234778.db2.gz SKKJZPSFWNSZQP-IBGZPJMESA-N 1 2 370.522 2.485 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3SCCc4ccccc43)CC2)cn1 ZINC000173094575 327234779 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2.065 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(F)c(F)c(F)c2)nc[nH+]1 ZINC000173422879 327255580 /nfs/dbraw/zinc/25/55/80/327255580.db2.gz SKWTYKLJMRAFET-LLVKDONJSA-N 1 2 365.359 2.334 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(F)c(F)c(F)c2)[nH+]cn1 ZINC000173422879 327255582 /nfs/dbraw/zinc/25/55/82/327255582.db2.gz SKWTYKLJMRAFET-LLVKDONJSA-N 1 2 365.359 2.334 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2nccc3ccccc32)nc[nH+]1 ZINC000173427319 327255857 /nfs/dbraw/zinc/25/58/57/327255857.db2.gz YKNIXRGVZWICBG-OAHLLOKOSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2nccc3ccccc32)[nH+]cn1 ZINC000173427319 327255858 /nfs/dbraw/zinc/25/58/58/327255858.db2.gz YKNIXRGVZWICBG-OAHLLOKOSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2COC)nc[nH+]1 ZINC000173431349 327256380 /nfs/dbraw/zinc/25/63/80/327256380.db2.gz PMJBIFWYCMLHAZ-OAHLLOKOSA-N 1 2 355.442 2.064 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccccc2COC)[nH+]cn1 ZINC000173431349 327256381 /nfs/dbraw/zinc/25/63/81/327256381.db2.gz PMJBIFWYCMLHAZ-OAHLLOKOSA-N 1 2 355.442 2.064 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)C2)n1 ZINC000173493160 327261305 /nfs/dbraw/zinc/26/13/05/327261305.db2.gz GHKMNPBQLJGTCZ-ARFHVFGLSA-N 1 2 366.531 2.450 10 0 FEAELO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c(OC)c1 ZINC000173627740 327272361 /nfs/dbraw/zinc/27/23/61/327272361.db2.gz CRWUVBAPMPFBSB-STQMWFEESA-N 1 2 373.457 2.309 10 0 FEAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000173674428 327275726 /nfs/dbraw/zinc/27/57/26/327275726.db2.gz PAPZLUABZDKTIM-QGZVFWFLSA-N 1 2 369.473 2.210 10 0 FEAELO CCc1nnc([C@H]2C[N@H+](Cc3cnc4c(cnn4C(C)C)c3)CCO2)[nH]1 ZINC000173688883 327277140 /nfs/dbraw/zinc/27/71/40/327277140.db2.gz WEMZEQHHRZWDDF-OAHLLOKOSA-N 1 2 355.446 2.266 10 0 FEAELO CCc1nnc([C@H]2C[N@@H+](Cc3cnc4c(cnn4C(C)C)c3)CCO2)[nH]1 ZINC000173688883 327277141 /nfs/dbraw/zinc/27/71/41/327277141.db2.gz WEMZEQHHRZWDDF-OAHLLOKOSA-N 1 2 355.446 2.266 10 0 FEAELO CCN(CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173769289 327282665 /nfs/dbraw/zinc/28/26/65/327282665.db2.gz FYAKESSKZRVOBK-LJQANCHMSA-N 1 2 360.502 2.019 10 0 FEAELO O=C(NCc1ccc(OC2CCCC2)nc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779143 327283598 /nfs/dbraw/zinc/28/35/98/327283598.db2.gz SKFBFJRSFRAZJG-QGZVFWFLSA-N 1 2 374.485 2.019 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)[nH]n2)cc1 ZINC000173805402 327285529 /nfs/dbraw/zinc/28/55/29/327285529.db2.gz XCEUIIYQNKDUAD-KXBFYZLASA-N 1 2 354.454 2.178 10 0 FEAELO Cc1c(Cl)cccc1OCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173811377 327285786 /nfs/dbraw/zinc/28/57/86/327285786.db2.gz MMCFDTJNJWGUQQ-CZUORRHYSA-N 1 2 352.862 2.206 10 0 FEAELO C[C@@H]1CN(C(=O)c2sccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173816014 327285928 /nfs/dbraw/zinc/28/59/28/327285928.db2.gz UEQFLZKDFCGDHT-PWSUYJOCSA-N 1 2 359.289 2.303 10 0 FEAELO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cnn1-c1ccc(F)cc1 ZINC000173838657 327287965 /nfs/dbraw/zinc/28/79/65/327287965.db2.gz CMUJPHDGGVIECM-AUUYWEPGSA-N 1 2 372.444 2.113 10 0 FEAELO Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173864333 327289530 /nfs/dbraw/zinc/28/95/30/327289530.db2.gz WJMFUNOQIPWYSL-WMLDXEAASA-N 1 2 355.438 2.443 10 0 FEAELO CCN(CC)C(=O)c1ccccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173890879 327291948 /nfs/dbraw/zinc/29/19/48/327291948.db2.gz RFPHKVYYBBNAOD-INIZCTEOSA-N 1 2 374.485 2.107 10 0 FEAELO C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173916191 327294152 /nfs/dbraw/zinc/29/41/52/327294152.db2.gz UITOWHYRVLNFAE-AWEZNQCLSA-N 1 2 374.400 2.346 10 0 FEAELO C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000173945615 327296563 /nfs/dbraw/zinc/29/65/63/327296563.db2.gz NNGMNQOQKCMIKD-AWEZNQCLSA-N 1 2 361.405 2.393 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173969487 327298590 /nfs/dbraw/zinc/29/85/90/327298590.db2.gz FIPDVLJNNQVLPM-PBHICJAKSA-N 1 2 372.494 2.328 10 0 FEAELO COc1ccc2cc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c(C)nc2c1 ZINC000173969996 327298693 /nfs/dbraw/zinc/29/86/93/327298693.db2.gz JNWGWMYYNVFXRI-XOBRGWDASA-N 1 2 369.465 2.345 10 0 FEAELO COc1ccc2cc(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)c(C)nc2c1 ZINC000173970007 327298779 /nfs/dbraw/zinc/29/87/79/327298779.db2.gz JNWGWMYYNVFXRI-VLIAUNLRSA-N 1 2 369.465 2.345 10 0 FEAELO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(-c2ccncc2)cc1 ZINC000174242296 327315008 /nfs/dbraw/zinc/31/50/08/327315008.db2.gz FJKNDHIYNJWETG-HNAYVOBHSA-N 1 2 354.454 2.439 10 0 FEAELO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(-c2ccncc2)cc1 ZINC000174242296 327315010 /nfs/dbraw/zinc/31/50/10/327315010.db2.gz FJKNDHIYNJWETG-HNAYVOBHSA-N 1 2 354.454 2.439 10 0 FEAELO Cc1ccc([C@H](O)CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000174785369 327351023 /nfs/dbraw/zinc/35/10/23/327351023.db2.gz YUBBJPMSUVEAME-RBBKRZOGSA-N 1 2 370.493 2.086 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 ZINC000174906226 327360032 /nfs/dbraw/zinc/36/00/32/327360032.db2.gz JJELAHIJJDVNCZ-MRXNPFEDSA-N 1 2 363.849 2.037 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 ZINC000174906226 327360033 /nfs/dbraw/zinc/36/00/33/327360033.db2.gz JJELAHIJJDVNCZ-MRXNPFEDSA-N 1 2 363.849 2.037 10 0 FEAELO C[C@H](NC(=O)NCCNC(=O)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174923059 327361191 /nfs/dbraw/zinc/36/11/91/327361191.db2.gz BKBFYXGEVMDJDP-AWEZNQCLSA-N 1 2 367.409 2.256 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NC[C@@](C)(O)C(C)C)[NH+]2CCOCC2)s1 ZINC000174985279 327365697 /nfs/dbraw/zinc/36/56/97/327365697.db2.gz YOINAXSGMZBMEE-MAUKXSAKSA-N 1 2 369.531 2.136 10 0 FEAELO Cc1ccc(CNC(=O)C[S@@](=O)Cc2[nH+]ccn2C(C)C)cc1F ZINC000176893974 327482151 /nfs/dbraw/zinc/48/21/51/327482151.db2.gz KKFHJZDJRROYNU-DEOSSOPVSA-N 1 2 351.447 2.477 10 0 FEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177607120 327533062 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HRTGVAIRFVVMGV-QKPAOTATSA-N 1 2 367.515 2.329 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCO[C@H](C)[C@@H]2C)c2cccs2)CCO1 ZINC000246760764 549206585 /nfs/dbraw/zinc/20/65/85/549206585.db2.gz HRTGVAIRFVVMGV-QKPAOTATSA-N 1 2 367.515 2.329 10 0 FEAELO Cn1cc([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000246992460 549258440 /nfs/dbraw/zinc/25/84/40/549258440.db2.gz LKOIOCLBSOGKEP-SWLSCSKDSA-N 1 2 363.259 2.199 10 0 FEAELO Cn1cc([C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000246992460 549258443 /nfs/dbraw/zinc/25/84/43/549258443.db2.gz LKOIOCLBSOGKEP-SWLSCSKDSA-N 1 2 363.259 2.199 10 0 FEAELO CCn1c(=O)c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc2[nH]c1=S ZINC000247038303 549270561 /nfs/dbraw/zinc/27/05/61/549270561.db2.gz GNWQOSCVVHJCKB-TZMCWYRMSA-N 1 2 372.494 2.014 10 0 FEAELO CCn1c(=O)c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cc2[nH]c1=S ZINC000247038303 549270563 /nfs/dbraw/zinc/27/05/63/549270563.db2.gz GNWQOSCVVHJCKB-TZMCWYRMSA-N 1 2 372.494 2.014 10 0 FEAELO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000247221436 549300906 /nfs/dbraw/zinc/30/09/06/549300906.db2.gz WFECPZBBXVIBQM-DZKIICNBSA-N 1 2 352.862 2.286 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)ccc2Cl)C[C@H]1C ZINC000247268100 549308689 /nfs/dbraw/zinc/30/86/89/549308689.db2.gz KCEXVCCBZIJFMT-CQSZACIVSA-N 1 2 360.907 2.380 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(C)ccc2Cl)C[C@H]1C ZINC000247268100 549308691 /nfs/dbraw/zinc/30/86/91/549308691.db2.gz KCEXVCCBZIJFMT-CQSZACIVSA-N 1 2 360.907 2.380 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CCO2)c1 ZINC000247571181 549359974 /nfs/dbraw/zinc/35/99/74/549359974.db2.gz HEZDOFUJYNIOOH-APWZRJJASA-N 1 2 374.460 2.079 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CCO2)c1 ZINC000247571181 549359977 /nfs/dbraw/zinc/35/99/77/549359977.db2.gz HEZDOFUJYNIOOH-APWZRJJASA-N 1 2 374.460 2.079 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CCO2)c1 ZINC000247588665 549363306 /nfs/dbraw/zinc/36/33/06/549363306.db2.gz JIHQVUGCOPQRDD-SCTDSRPQSA-N 1 2 368.481 2.259 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CCO2)c1 ZINC000247588665 549363310 /nfs/dbraw/zinc/36/33/10/549363310.db2.gz JIHQVUGCOPQRDD-SCTDSRPQSA-N 1 2 368.481 2.259 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N(C)C[C@H]2CCCO2)c2cccs2)CCO1 ZINC000248329645 549419612 /nfs/dbraw/zinc/41/96/12/549419612.db2.gz DFSZUVVNJKGROG-OAGGEKHMSA-N 1 2 367.515 2.330 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N(C)C[C@H]2CCCO2)c2cccs2)CCO1 ZINC000248329645 549419615 /nfs/dbraw/zinc/41/96/15/549419615.db2.gz DFSZUVVNJKGROG-OAGGEKHMSA-N 1 2 367.515 2.330 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000248649278 549476792 /nfs/dbraw/zinc/47/67/92/549476792.db2.gz VIOMBMRRENANHP-APWZRJJASA-N 1 2 373.497 2.492 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000248649278 549476794 /nfs/dbraw/zinc/47/67/94/549476794.db2.gz VIOMBMRRENANHP-APWZRJJASA-N 1 2 373.497 2.492 10 0 FEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1cccc(N2CCCC2=O)c1 ZINC000250115087 549636962 /nfs/dbraw/zinc/63/69/62/549636962.db2.gz MDXWEZYQFIFQAG-QZTJIDSGSA-N 1 2 357.454 2.395 10 0 FEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)Nc1cccc(N2CCCC2=O)c1 ZINC000250115087 549636965 /nfs/dbraw/zinc/63/69/65/549636965.db2.gz MDXWEZYQFIFQAG-QZTJIDSGSA-N 1 2 357.454 2.395 10 0 FEAELO CCCN(Cc1noc(C[NH3+])n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261681176 549742384 /nfs/dbraw/zinc/74/23/84/549742384.db2.gz IIZSMMWMOBGTMH-UHFFFAOYSA-N 1 2 357.458 2.045 10 0 FEAELO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000262917255 549862045 /nfs/dbraw/zinc/86/20/45/549862045.db2.gz KMZYOJTVKJYGFA-UHFFFAOYSA-N 1 2 373.497 2.294 10 0 FEAELO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000262917255 549862048 /nfs/dbraw/zinc/86/20/48/549862048.db2.gz KMZYOJTVKJYGFA-UHFFFAOYSA-N 1 2 373.497 2.294 10 0 FEAELO O=C(Nc1cccc(F)c1)C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263248466 549889213 /nfs/dbraw/zinc/88/92/13/549889213.db2.gz PPOLYXZLDRVFBU-CQSZACIVSA-N 1 2 355.360 2.000 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](Nc2ccccc2)C1 ZINC000301635511 553667854 /nfs/dbraw/zinc/66/78/54/553667854.db2.gz DWZAEMXXEIDXQO-OAHLLOKOSA-N 1 2 366.425 2.080 10 0 FEAELO Cc1conc1NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328616606 553796622 /nfs/dbraw/zinc/79/66/22/553796622.db2.gz BVMPPLCZUHDZKF-AWEZNQCLSA-N 1 2 357.414 2.663 10 0 FEAELO CCc1nn(C)c(OC)c1C[N@@H+]1CCCC[C@@H]1c1ccc(C(=O)NC)n1C ZINC000328654670 553803159 /nfs/dbraw/zinc/80/31/59/553803159.db2.gz XPLJXRCTTBDMGV-QGZVFWFLSA-N 1 2 373.501 2.416 10 0 FEAELO CCc1nn(C)c(OC)c1C[N@H+]1CCCC[C@@H]1c1ccc(C(=O)NC)n1C ZINC000328654670 553803162 /nfs/dbraw/zinc/80/31/62/553803162.db2.gz XPLJXRCTTBDMGV-QGZVFWFLSA-N 1 2 373.501 2.416 10 0 FEAELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000369588957 556640618 /nfs/dbraw/zinc/64/06/18/556640618.db2.gz UANINVDFAVXOCI-CYBMUJFWSA-N 1 2 355.394 2.170 10 0 FEAELO CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000106159533 670809976 /nfs/dbraw/zinc/80/99/76/670809976.db2.gz BANSTRCMPNKKCS-ZDUSSCGKSA-N 1 2 369.941 2.057 10 0 FEAELO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173906523 672355683 /nfs/dbraw/zinc/35/56/83/672355683.db2.gz UNHRSTXDMXLJBO-FCGDIQPGSA-N 1 2 352.519 2.397 10 0 FEAELO C[S@@](=O)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000180499477 672414556 /nfs/dbraw/zinc/41/45/56/672414556.db2.gz QPZIVFMJGMMYMY-YEBMWUKDSA-N 1 2 350.419 2.456 10 0 FEAELO O[C@]12CCCC[C@@H]1C[N@H+](Cn1nc(N3CCOCC3)sc1=S)CC2 ZINC000247175182 672847484 /nfs/dbraw/zinc/84/74/84/672847484.db2.gz UWBJJVWEXYQBPE-CJNGLKHVSA-N 1 2 370.544 2.095 10 0 FEAELO O[C@]12CCCC[C@@H]1C[N@@H+](Cn1nc(N3CCOCC3)sc1=S)CC2 ZINC000247175182 672847489 /nfs/dbraw/zinc/84/74/89/672847489.db2.gz UWBJJVWEXYQBPE-CJNGLKHVSA-N 1 2 370.544 2.095 10 0 FEAELO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000247399839 672849624 /nfs/dbraw/zinc/84/96/24/672849624.db2.gz QZFXAOVCBZBONE-VHSXEESVSA-N 1 2 366.455 2.203 10 0 FEAELO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000247399839 672849628 /nfs/dbraw/zinc/84/96/28/672849628.db2.gz QZFXAOVCBZBONE-VHSXEESVSA-N 1 2 366.455 2.203 10 0 FEAELO CC(=O)N1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C(F)(F)F ZINC000886085191 688200943 /nfs/dbraw/zinc/20/09/43/688200943.db2.gz FQFMQGHVFHSEIQ-DGCLKSJQSA-N 1 2 354.332 2.006 10 0 FEAELO Cc1ccc(CS(=O)(=O)Nc2ccc([C@H]3CCC[NH2+]3)nn2)c(F)c1 ZINC000888076077 688544547 /nfs/dbraw/zinc/54/45/47/688544547.db2.gz VYIHAWPMVIHLBT-CQSZACIVSA-N 1 2 350.419 2.291 10 0 FEAELO C[C@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[NH+]1CCOCC1 ZINC000031125168 539898895 /nfs/dbraw/zinc/89/88/95/539898895.db2.gz VQEYRYZKXSCIKJ-CABCVRRESA-N 1 2 374.485 2.116 10 0 FEAELO CCNC(=O)N1CC[NH+]([C@@H](C(=O)NC[C@H](C)CC)C2CCCC2)CC1 ZINC000036310543 539988492 /nfs/dbraw/zinc/98/84/92/539988492.db2.gz WNZHVOVQGAKNRS-NVXWUHKLSA-N 1 2 352.523 2.055 10 0 FEAELO Cc1nn(CCC(=O)NCCCn2cc[nH+]c2)c(C)c1Br ZINC000027969280 209786661 /nfs/dbraw/zinc/78/66/61/209786661.db2.gz KTGZEIMQYITRMO-UHFFFAOYSA-N 1 2 354.252 2.056 10 0 FEAELO C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1C1CC1)[NH+]1CCOCC1 ZINC000046268393 540250118 /nfs/dbraw/zinc/25/01/18/540250118.db2.gz DWZNUXXHGUXZGL-OAHLLOKOSA-N 1 2 354.454 2.200 10 0 FEAELO C[C@H](NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000051293435 540429431 /nfs/dbraw/zinc/42/94/31/540429431.db2.gz LGSFRKITUNDNQS-KRWDZBQOSA-N 1 2 355.482 2.293 10 0 FEAELO C[C@H](NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000051293435 540429432 /nfs/dbraw/zinc/42/94/32/540429432.db2.gz LGSFRKITUNDNQS-KRWDZBQOSA-N 1 2 355.482 2.293 10 0 FEAELO O=C(NCCc1c[nH+]c[nH]1)c1cc(COc2ccc3ncccc3c2)on1 ZINC000067539921 541477197 /nfs/dbraw/zinc/47/71/97/541477197.db2.gz AZRSZUBXKGRCOG-UHFFFAOYSA-N 1 2 363.377 2.497 10 0 FEAELO O=C(NCCc1c[nH]c[nH+]1)c1cc(COc2ccc3ncccc3c2)on1 ZINC000067539921 541477198 /nfs/dbraw/zinc/47/71/98/541477198.db2.gz AZRSZUBXKGRCOG-UHFFFAOYSA-N 1 2 363.377 2.497 10 0 FEAELO CCCNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3OC)CC2)n1 ZINC000034678140 208104126 /nfs/dbraw/zinc/10/41/26/208104126.db2.gz DXYQTIFSHWLJMI-UHFFFAOYSA-N 1 2 372.469 2.141 10 0 FEAELO CC[C@H]1c2cccn2CC[N@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077385697 542376445 /nfs/dbraw/zinc/37/64/45/542376445.db2.gz SXVLCNNHIFNEIO-INIZCTEOSA-N 1 2 351.472 2.439 10 0 FEAELO CC[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077385697 542376447 /nfs/dbraw/zinc/37/64/47/542376447.db2.gz SXVLCNNHIFNEIO-INIZCTEOSA-N 1 2 351.472 2.439 10 0 FEAELO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077366496 542374053 /nfs/dbraw/zinc/37/40/53/542374053.db2.gz XVMZENGIVNGAMT-GASCZTMLSA-N 1 2 350.459 2.162 10 0 FEAELO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077366496 542374057 /nfs/dbraw/zinc/37/40/57/542374057.db2.gz XVMZENGIVNGAMT-GASCZTMLSA-N 1 2 350.459 2.162 10 0 FEAELO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)[nH]1 ZINC000093757386 542939393 /nfs/dbraw/zinc/93/93/93/542939393.db2.gz RWRXNXXGXLFVDI-CQSZACIVSA-N 1 2 350.463 2.206 10 0 FEAELO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)[nH]1 ZINC000093757386 542939396 /nfs/dbraw/zinc/93/93/96/542939396.db2.gz RWRXNXXGXLFVDI-CQSZACIVSA-N 1 2 350.463 2.206 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000101564457 543033588 /nfs/dbraw/zinc/03/35/88/543033588.db2.gz IBDYXQXLLUVXQI-HNNXBMFYSA-N 1 2 361.490 2.317 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000101564457 543033591 /nfs/dbraw/zinc/03/35/91/543033591.db2.gz IBDYXQXLLUVXQI-HNNXBMFYSA-N 1 2 361.490 2.317 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2cccc(OCC)c2)C1 ZINC000101563388 543033730 /nfs/dbraw/zinc/03/37/30/543033730.db2.gz AELRPNGWGFVOEI-KRWDZBQOSA-N 1 2 361.486 2.082 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(OCC)c2)C1 ZINC000101563388 543033734 /nfs/dbraw/zinc/03/37/34/543033734.db2.gz AELRPNGWGFVOEI-KRWDZBQOSA-N 1 2 361.486 2.082 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000103477087 543109989 /nfs/dbraw/zinc/10/99/89/543109989.db2.gz NACDZKNNKIOQQX-ZDUSSCGKSA-N 1 2 360.462 2.402 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000103477087 543109991 /nfs/dbraw/zinc/10/99/91/543109991.db2.gz NACDZKNNKIOQQX-ZDUSSCGKSA-N 1 2 360.462 2.402 10 0 FEAELO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1Br ZINC000104777522 543143967 /nfs/dbraw/zinc/14/39/67/543143967.db2.gz HPWWKCKPSVORTO-RYUDHWBXSA-N 1 2 356.264 2.140 10 0 FEAELO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1Br ZINC000104777522 543143968 /nfs/dbraw/zinc/14/39/68/543143968.db2.gz HPWWKCKPSVORTO-RYUDHWBXSA-N 1 2 356.264 2.140 10 0 FEAELO CC1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000105278836 543168863 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Cc1ccc(C[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c2ccccn2)cc1 ZINC000115677027 543581237 /nfs/dbraw/zinc/58/12/37/543581237.db2.gz CDBNHQFFMDCDND-AZUAARDMSA-N 1 2 368.481 2.304 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000115713877 543582511 /nfs/dbraw/zinc/58/25/11/543582511.db2.gz XYTAZSNDYFYSRM-UHFFFAOYSA-N 1 2 362.861 2.354 10 0 FEAELO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(c1nnc(CC)s1)CC2 ZINC000095530358 209078725 /nfs/dbraw/zinc/07/87/25/209078725.db2.gz GLDDVHMJUACFEU-UHFFFAOYSA-N 1 2 360.487 2.114 10 0 FEAELO COCCOc1ccccc1C[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000122628907 543714421 /nfs/dbraw/zinc/71/44/21/543714421.db2.gz QOOGRXSAESYHNA-LJQANCHMSA-N 1 2 359.470 2.426 10 0 FEAELO COCCOc1ccccc1C[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000122628907 543714424 /nfs/dbraw/zinc/71/44/24/543714424.db2.gz QOOGRXSAESYHNA-LJQANCHMSA-N 1 2 359.470 2.426 10 0 FEAELO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000123212393 543748544 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CCn1cc([C@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cn1 ZINC000190810474 328233835 /nfs/dbraw/zinc/23/38/35/328233835.db2.gz GJWHUQOGQBJJSR-FUHWJXTLSA-N 1 2 365.861 2.370 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cn1 ZINC000190810474 328233837 /nfs/dbraw/zinc/23/38/37/328233837.db2.gz GJWHUQOGQBJJSR-FUHWJXTLSA-N 1 2 365.861 2.370 10 0 FEAELO CCCOc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)c1 ZINC000191745729 328279915 /nfs/dbraw/zinc/27/99/15/328279915.db2.gz PGFZDEGSJTWECK-SFHVURJKSA-N 1 2 361.486 2.400 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192004570 328293354 /nfs/dbraw/zinc/29/33/54/328293354.db2.gz DFBCROCAQJKQCZ-HXUWFJFHSA-N 1 2 367.497 2.108 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192004570 328293355 /nfs/dbraw/zinc/29/33/55/328293355.db2.gz DFBCROCAQJKQCZ-HXUWFJFHSA-N 1 2 367.497 2.108 10 0 FEAELO O=C([C@H]1CCCc2cccnc21)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000192529854 328324036 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CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152690716 326714164 /nfs/dbraw/zinc/71/41/64/326714164.db2.gz JYTLRKPQTFHZCR-HUUCEWRRSA-N 1 2 360.458 2.034 10 0 FEAELO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1nnc2n1CCCC2 ZINC000163246511 327047143 /nfs/dbraw/zinc/04/71/43/327047143.db2.gz XBQWRAIPANMVND-AWEZNQCLSA-N 1 2 369.473 2.039 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)s1 ZINC000170941679 327108559 /nfs/dbraw/zinc/10/85/59/327108559.db2.gz BNIQKIHPCRMTFE-GOSISDBHSA-N 1 2 358.511 2.399 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)n1 ZINC000170942613 327109015 /nfs/dbraw/zinc/10/90/15/327109015.db2.gz RQBUTMLGKNOJNB-MAUKXSAKSA-N 1 2 371.485 2.140 10 0 FEAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)c3nnnn3-c3ccccc3)C2)no1 ZINC000171404104 327137267 /nfs/dbraw/zinc/13/72/67/327137267.db2.gz LQLKUDSGPMCFOY-ZFWWWQNUSA-N 1 2 353.430 2.369 10 0 FEAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)c3nnnn3-c3ccccc3)C2)no1 ZINC000171404104 327137268 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CCOc1ccccc1Nc1nc[nH+]c(N(CCOC)CCOC)c1N ZINC000040752070 208267699 /nfs/dbraw/zinc/26/76/99/208267699.db2.gz VAOSXDFPSUGNBP-UHFFFAOYSA-N 1 2 361.446 2.300 10 0 FEAELO COc1cccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)c1 ZINC000224146775 132281823 /nfs/dbraw/zinc/28/18/23/132281823.db2.gz HELPHZVCBRPKJU-UHFFFAOYSA-N 1 2 372.429 2.032 10 0 FEAELO COc1cccc(N2CC[NH+](C[C@H](O)COc3cccc(C=O)c3)CC2)c1 ZINC000031371742 132378075 /nfs/dbraw/zinc/37/80/75/132378075.db2.gz PZCDSVSZCJTGDJ-IBGZPJMESA-N 1 2 370.449 2.070 10 0 FEAELO COc1ccccc1C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC000104797861 543145540 /nfs/dbraw/zinc/14/55/40/543145540.db2.gz NYPAYBNTDYQVJQ-INIZCTEOSA-N 1 2 361.486 2.137 10 0 FEAELO COc1ccccc1C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000104797861 543145543 /nfs/dbraw/zinc/14/55/43/543145543.db2.gz NYPAYBNTDYQVJQ-INIZCTEOSA-N 1 2 361.486 2.137 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)s1 ZINC000106091470 543194923 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374.489 2.079 10 0 FEAELO CCN(C(=O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000106189915 543215496 /nfs/dbraw/zinc/21/54/96/543215496.db2.gz ZXSZGFJKYCBFKO-LPHOPBHVSA-N 1 2 374.460 2.333 10 0 FEAELO CCN(C(=O)C[N@H+]1CCO[C@H](Cn2cccn2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000106189915 543215498 /nfs/dbraw/zinc/21/54/98/543215498.db2.gz ZXSZGFJKYCBFKO-LPHOPBHVSA-N 1 2 374.460 2.333 10 0 FEAELO Cc1cnn(C[C@@H]2CN(Cc3[nH+]ccn3Cc3ccccc3)CCO2)c1 ZINC000106195361 543215993 /nfs/dbraw/zinc/21/59/93/543215993.db2.gz RTOWWBUZWCGUJT-IBGZPJMESA-N 1 2 351.454 2.337 10 0 FEAELO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000106196559 543216049 /nfs/dbraw/zinc/21/60/49/543216049.db2.gz VWIFDTGJIPXEGC-OALUTQOASA-N 1 2 372.469 2.318 10 0 FEAELO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000106196559 543216052 /nfs/dbraw/zinc/21/60/52/543216052.db2.gz VWIFDTGJIPXEGC-OALUTQOASA-N 1 2 372.469 2.318 10 0 FEAELO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000106197524 543216431 /nfs/dbraw/zinc/21/64/31/543216431.db2.gz AIGOXXLIQAGLOV-IBGZPJMESA-N 1 2 374.460 2.080 10 0 FEAELO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000106197524 543216432 /nfs/dbraw/zinc/21/64/32/543216432.db2.gz AIGOXXLIQAGLOV-IBGZPJMESA-N 1 2 374.460 2.080 10 0 FEAELO CCC(C)(C)NC(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161749 543211450 /nfs/dbraw/zinc/21/14/50/543211450.db2.gz QFCBEGRJGAWRJG-HNNXBMFYSA-N 1 2 353.532 2.358 10 0 FEAELO CCC(C)(C)NC(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161749 543211452 /nfs/dbraw/zinc/21/14/52/543211452.db2.gz QFCBEGRJGAWRJG-HNNXBMFYSA-N 1 2 353.532 2.358 10 0 FEAELO CCN(C(=O)C[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000106202058 543217653 /nfs/dbraw/zinc/21/76/53/543217653.db2.gz RXQYPULLAAGXEW-LJQANCHMSA-N 1 2 356.470 2.254 10 0 FEAELO CCN(C(=O)C[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1)c1ccccc1 ZINC000106202058 543217654 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CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)OCCC(C)C)CC2)cn1 ZINC000109661013 543332473 /nfs/dbraw/zinc/33/24/73/543332473.db2.gz PBQMMPSKJHBDQA-QGZVFWFLSA-N 1 2 350.507 2.389 10 0 FEAELO COc1ccc([C@H]2CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)cc1 ZINC000110411159 543357416 /nfs/dbraw/zinc/35/74/16/543357416.db2.gz FTDCJCQLHDTFFZ-DLBZAZTESA-N 1 2 354.454 2.440 10 0 FEAELO COc1ccc([C@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)cc1 ZINC000110411159 543357418 /nfs/dbraw/zinc/35/74/18/543357418.db2.gz FTDCJCQLHDTFFZ-DLBZAZTESA-N 1 2 354.454 2.440 10 0 FEAELO CC1(C)CO[C@@H](c2ccccc2Cl)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000111697136 543412439 /nfs/dbraw/zinc/41/24/39/543412439.db2.gz ROZIKOKJXHNMCO-CRAIPNDOSA-N 1 2 368.905 2.185 10 0 FEAELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000111697136 543412441 /nfs/dbraw/zinc/41/24/41/543412441.db2.gz ROZIKOKJXHNMCO-CRAIPNDOSA-N 1 2 368.905 2.185 10 0 FEAELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000111697136 543412444 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CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)NCc1cccs1 ZINC000171674924 327154344 /nfs/dbraw/zinc/15/43/44/327154344.db2.gz JZQUTLFPCBYYNO-LBPRGKRZSA-N 1 2 355.485 2.145 10 0 FEAELO CCOC(=O)[C@@H](NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000171929095 327170700 /nfs/dbraw/zinc/17/07/00/327170700.db2.gz ZDNGNIPPWIPULW-APWZRJJASA-N 1 2 369.469 2.381 10 0 FEAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000172520400 327205308 /nfs/dbraw/zinc/20/53/08/327205308.db2.gz XCACDFPPGBSGKS-OAHLLOKOSA-N 1 2 364.453 2.174 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)cn1 ZINC000172627487 327212565 /nfs/dbraw/zinc/21/25/65/327212565.db2.gz MAPKZZWPAPXMNO-FQEVSTJZSA-N 1 2 368.481 2.331 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)cn1 ZINC000172627487 327212566 /nfs/dbraw/zinc/21/25/66/327212566.db2.gz MAPKZZWPAPXMNO-FQEVSTJZSA-N 1 2 368.481 2.331 10 0 FEAELO Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)c12 ZINC000172750936 327216984 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Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1NC(=O)CC(C)C ZINC000173067773 327233325 /nfs/dbraw/zinc/23/33/25/327233325.db2.gz PJJSFZNVNZSIAB-MRXNPFEDSA-N 1 2 361.486 2.430 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOc2cccc(C)c2)nc[nH+]1 ZINC000173413746 327254570 /nfs/dbraw/zinc/25/45/70/327254570.db2.gz QRNPCOCAFYRYPL-INIZCTEOSA-N 1 2 369.469 2.381 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOc2cccc(C)c2)[nH+]cn1 ZINC000173413746 327254572 /nfs/dbraw/zinc/25/45/72/327254572.db2.gz QRNPCOCAFYRYPL-INIZCTEOSA-N 1 2 369.469 2.381 10 0 FEAELO CCc1ccccc1OCC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173413801 327254681 /nfs/dbraw/zinc/25/46/81/327254681.db2.gz ZUCMUNJIQSMBPR-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CCc1ccccc1OCC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173413801 327254682 /nfs/dbraw/zinc/25/46/82/327254682.db2.gz ZUCMUNJIQSMBPR-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCOc3ccccc32)nc[nH+]1 ZINC000173417333 327255058 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10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2ccccn2)nc[nH+]1 ZINC000173427446 327255963 /nfs/dbraw/zinc/25/59/63/327255963.db2.gz HDNAFHPQYMAERD-GJZGRUSLSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2ccccn2)[nH+]cn1 ZINC000173427446 327255965 /nfs/dbraw/zinc/25/59/65/327255965.db2.gz HDNAFHPQYMAERD-GJZGRUSLSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cccc(Cl)c2)nc[nH+]1 ZINC000173441728 327257200 /nfs/dbraw/zinc/25/72/00/327257200.db2.gz JWAORSKKYPISGE-HNNXBMFYSA-N 1 2 359.861 2.499 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cccc(Cl)c2)[nH+]cn1 ZINC000173441728 327257202 /nfs/dbraw/zinc/25/72/02/327257202.db2.gz JWAORSKKYPISGE-HNNXBMFYSA-N 1 2 359.861 2.499 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C(C)=O)cs2)nc[nH+]1 ZINC000173441914 327257317 /nfs/dbraw/zinc/25/73/17/327257317.db2.gz DUOOOMFNEHNRIF-ZDUSSCGKSA-N 1 2 359.455 2.181 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C(C)=O)cs2)[nH+]cn1 ZINC000173441914 327257318 /nfs/dbraw/zinc/25/73/18/327257318.db2.gz DUOOOMFNEHNRIF-ZDUSSCGKSA-N 1 2 359.455 2.181 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C(C)=O)cc2)nc[nH+]1 ZINC000173440526 327257333 /nfs/dbraw/zinc/25/73/33/327257333.db2.gz JURAGVDZLLVDAH-MRXNPFEDSA-N 1 2 353.426 2.120 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C(C)=O)cc2)[nH+]cn1 ZINC000173440526 327257334 /nfs/dbraw/zinc/25/73/34/327257334.db2.gz JURAGVDZLLVDAH-MRXNPFEDSA-N 1 2 353.426 2.120 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)c2cccc(OC)c2)nc[nH+]1 ZINC000173446959 327257903 /nfs/dbraw/zinc/25/79/03/327257903.db2.gz CTBBOLGQCYYBAZ-GOEBONIOSA-N 1 2 369.469 2.416 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)c2cccc(OC)c2)[nH+]cn1 ZINC000173446959 327257904 /nfs/dbraw/zinc/25/79/04/327257904.db2.gz CTBBOLGQCYYBAZ-GOEBONIOSA-N 1 2 369.469 2.416 10 0 FEAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000173625288 327271814 /nfs/dbraw/zinc/27/18/14/327271814.db2.gz GPBUKWNDMZXLLU-CHWSQXEVSA-N 1 2 370.457 2.251 10 0 FEAELO COc1ccc(OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000173623072 327271830 /nfs/dbraw/zinc/27/18/30/327271830.db2.gz VAIDHKKNIYDPIL-QWHCGFSZSA-N 1 2 373.457 2.309 10 0 FEAELO CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000173628398 327272242 /nfs/dbraw/zinc/27/22/42/327272242.db2.gz AYRPLXCKSGXRNJ-STQMWFEESA-N 1 2 355.442 2.495 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCc2cccnc2)c2cccs2)CCO1 ZINC000173647158 327273661 /nfs/dbraw/zinc/27/36/61/327273661.db2.gz AVOAWCZUGVOSKA-HOCLYGCPSA-N 1 2 360.483 2.404 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCc2cccnc2)c2cccs2)CCO1 ZINC000173647158 327273662 /nfs/dbraw/zinc/27/36/62/327273662.db2.gz AVOAWCZUGVOSKA-HOCLYGCPSA-N 1 2 360.483 2.404 10 0 FEAELO CCc1ccc2c(C[N@@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)cc(=O)oc2c1 ZINC000173676952 327276028 /nfs/dbraw/zinc/27/60/28/327276028.db2.gz UUMGAWCZGCQTCH-KRWDZBQOSA-N 1 2 354.410 2.355 10 0 FEAELO CCc1ccc2c(C[N@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)cc(=O)oc2c1 ZINC000173676952 327276029 /nfs/dbraw/zinc/27/60/29/327276029.db2.gz UUMGAWCZGCQTCH-KRWDZBQOSA-N 1 2 354.410 2.355 10 0 FEAELO c1ncn(C[C@H]2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)n1 ZINC000173752588 327281306 /nfs/dbraw/zinc/28/13/06/327281306.db2.gz CIDCHWPEFDHFGD-KRWDZBQOSA-N 1 2 352.442 2.359 10 0 FEAELO c1ncn(C[C@H]2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)n1 ZINC000173752588 327281308 /nfs/dbraw/zinc/28/13/08/327281308.db2.gz CIDCHWPEFDHFGD-KRWDZBQOSA-N 1 2 352.442 2.359 10 0 FEAELO O=C(NCc1sccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173797304 327284945 /nfs/dbraw/zinc/28/49/45/327284945.db2.gz NKBQRRKSGREOSI-LLVKDONJSA-N 1 2 374.304 2.127 10 0 FEAELO C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000173806928 327285554 /nfs/dbraw/zinc/28/55/54/327285554.db2.gz CJDTWXWGYGTMFM-UNEWFSDZSA-N 1 2 364.873 2.070 10 0 FEAELO C[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000173826211 327286958 /nfs/dbraw/zinc/28/69/58/327286958.db2.gz YWYUYDLCKLWCGM-QRQLOZEOSA-N 1 2 361.486 2.005 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000173825584 327286965 /nfs/dbraw/zinc/28/69/65/327286965.db2.gz OSUVKKOYTJLVDF-IAQYHMDHSA-N 1 2 371.250 2.381 10 0 FEAELO CCOc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1OCC ZINC000173848941 327288832 /nfs/dbraw/zinc/28/88/32/327288832.db2.gz BPIGHNITACXJIB-DOTOQJQBSA-N 1 2 362.470 2.277 10 0 FEAELO O=C(NCc1ccccc1OC1CCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173891320 327292097 /nfs/dbraw/zinc/29/20/97/327292097.db2.gz KZQIFFCKNMEYQK-KRWDZBQOSA-N 1 2 359.470 2.234 10 0 FEAELO O=C(N[C@H](c1nccs1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173908496 327293662 /nfs/dbraw/zinc/29/36/62/327293662.db2.gz QYIQOJNQCMBTBP-SJORKVTESA-N 1 2 372.494 2.349 10 0 FEAELO COc1ncnc(OC)c1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173942495 327296543 /nfs/dbraw/zinc/29/65/43/327296543.db2.gz JJAULSCJFAAFRB-LBPRGKRZSA-N 1 2 353.382 2.171 10 0 FEAELO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000174224454 327314121 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ZINC000106162733 543211417 /nfs/dbraw/zinc/21/14/17/543211417.db2.gz IYAUJTAYBTUUJV-QGZVFWFLSA-N 1 2 365.543 2.312 10 0 FEAELO CC1CCN(C(=O)C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000106162733 543211420 /nfs/dbraw/zinc/21/14/20/543211420.db2.gz IYAUJTAYBTUUJV-QGZVFWFLSA-N 1 2 365.543 2.312 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)CCO2)n1 ZINC000106201730 543217442 /nfs/dbraw/zinc/21/74/42/543217442.db2.gz SPAWMQZDDXOEDS-ICSRJNTNSA-N 1 2 370.497 2.214 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCc3ccc(C)cc3)CCO2)n1 ZINC000106201730 543217445 /nfs/dbraw/zinc/21/74/45/543217445.db2.gz SPAWMQZDDXOEDS-ICSRJNTNSA-N 1 2 370.497 2.214 10 0 FEAELO COc1ccccc1COC[C@H](O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106379087 543226648 /nfs/dbraw/zinc/22/66/48/543226648.db2.gz ADOPLHJBDIAFFD-QGZVFWFLSA-N 1 2 373.497 2.488 10 0 FEAELO COc1ccccc1COC[C@H](O)C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106379087 543226651 /nfs/dbraw/zinc/22/66/51/543226651.db2.gz 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Cc1nc(C[N@H+]2CCCN(C(=O)CNC(=O)CC(C)(C)C)CC2)cs1 ZINC000109652284 543331219 /nfs/dbraw/zinc/33/12/19/543331219.db2.gz IHRXTMROLKDTIM-UHFFFAOYSA-N 1 2 366.531 2.038 10 0 FEAELO CCc1noc([C@@H](C)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)n1 ZINC000112086332 543430054 /nfs/dbraw/zinc/43/00/54/543430054.db2.gz IMTGAWCFONXRRF-OAHLLOKOSA-N 1 2 371.489 2.296 10 0 FEAELO COc1ccc(C)nc1NC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000127672585 544007041 /nfs/dbraw/zinc/00/70/41/544007041.db2.gz IAWXDDIRHUJRLX-QGZVFWFLSA-N 1 2 370.453 2.282 10 0 FEAELO CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000128465961 544054422 /nfs/dbraw/zinc/05/44/22/544054422.db2.gz KYKXMRSUHUIUJB-SJCJKPOMSA-N 1 2 365.861 2.091 10 0 FEAELO Cc1cnn(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000129457441 544113441 /nfs/dbraw/zinc/11/34/41/544113441.db2.gz OHVSXPCVCHEUSM-IAGOWNOFSA-N 1 2 363.412 2.214 10 0 FEAELO Cc1cnn(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000129457441 544113443 /nfs/dbraw/zinc/11/34/43/544113443.db2.gz OHVSXPCVCHEUSM-IAGOWNOFSA-N 1 2 363.412 2.214 10 0 FEAELO COc1cc2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)[nH]c(=O)c2cc1OC ZINC000140354615 544408173 /nfs/dbraw/zinc/40/81/73/544408173.db2.gz BOQIUMALMXTCOC-ZUOKHONESA-N 1 2 373.453 2.067 10 0 FEAELO COc1cc2nc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)[nH]c(=O)c2cc1OC ZINC000140354615 544408174 /nfs/dbraw/zinc/40/81/74/544408174.db2.gz BOQIUMALMXTCOC-ZUOKHONESA-N 1 2 373.453 2.067 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C1 ZINC000150802328 544473900 /nfs/dbraw/zinc/47/39/00/544473900.db2.gz KBJGLPZHJXHZJY-SNVBAGLBSA-N 1 2 358.320 2.299 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C1 ZINC000150802328 544473903 /nfs/dbraw/zinc/47/39/03/544473903.db2.gz KBJGLPZHJXHZJY-SNVBAGLBSA-N 1 2 358.320 2.299 10 0 FEAELO Cc1c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cccc1OCC(F)(F)F ZINC000150845224 544478110 /nfs/dbraw/zinc/47/81/10/544478110.db2.gz MFILNZJNPRSHEG-LBPRGKRZSA-N 1 2 361.364 2.388 10 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/nfs/dbraw/zinc/89/66/37/544896637.db2.gz TYSMEHGOXLEDEK-HNNXBMFYSA-N 1 2 374.485 2.073 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCC[C@H]([C@H](O)c4nccn4C)C3)nc[nH+]2)C1 ZINC000154438079 544906313 /nfs/dbraw/zinc/90/63/13/544906313.db2.gz YZVRTZBYQFZIAY-GJYPPUQNSA-N 1 2 370.501 2.396 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCC[C@H]([C@H](O)c4nccn4C)C3)[nH+]cn2)C1 ZINC000154438079 544906318 /nfs/dbraw/zinc/90/63/18/544906318.db2.gz YZVRTZBYQFZIAY-GJYPPUQNSA-N 1 2 370.501 2.396 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2cccc(O)c2)nc[nH+]1 ZINC000154852706 544957257 /nfs/dbraw/zinc/95/72/57/544957257.db2.gz PVQNOTYQLXWFFD-KIUWMYQTSA-N 1 2 353.426 2.022 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2cccc(O)c2)[nH+]cn1 ZINC000154852706 544957258 /nfs/dbraw/zinc/95/72/58/544957258.db2.gz PVQNOTYQLXWFFD-KIUWMYQTSA-N 1 2 353.426 2.022 10 0 FEAELO CCn1c(C)nnc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000154905150 544964447 /nfs/dbraw/zinc/96/44/47/544964447.db2.gz PZXAVQRITVHNQO-UHFFFAOYSA-N 1 2 359.449 2.274 10 0 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328141686 /nfs/dbraw/zinc/14/16/86/328141686.db2.gz QMXHQOCZXOHVKK-DZGCQCFKSA-N 1 2 371.393 2.460 10 0 FEAELO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1C(C)C ZINC000190746240 328229862 /nfs/dbraw/zinc/22/98/62/328229862.db2.gz SCZXJBBSLOVIQH-INIZCTEOSA-N 1 2 356.470 2.365 10 0 FEAELO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C(C)C ZINC000190746240 328229863 /nfs/dbraw/zinc/22/98/63/328229863.db2.gz SCZXJBBSLOVIQH-INIZCTEOSA-N 1 2 356.470 2.365 10 0 FEAELO CCC(C)(C)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000190760288 328230722 /nfs/dbraw/zinc/23/07/22/328230722.db2.gz WSJPMVQTAMTPSA-KRWDZBQOSA-N 1 2 363.502 2.190 10 0 FEAELO CCn1cc([C@H]2C[N@H+](CCC(=O)N3CCc4sccc4C3)CCO2)cn1 ZINC000190826207 328234575 /nfs/dbraw/zinc/23/45/75/328234575.db2.gz GNZDSTJJRURDEQ-QGZVFWFLSA-N 1 2 374.510 2.313 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](CCC(=O)N3CCc4sccc4C3)CCO2)cn1 ZINC000190826207 328234576 /nfs/dbraw/zinc/23/45/76/328234576.db2.gz GNZDSTJJRURDEQ-QGZVFWFLSA-N 1 2 374.510 2.313 10 0 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/nfs/dbraw/zinc/45/63/05/328456305.db2.gz STRHKEZHZFSICP-UHFFFAOYSA-N 1 2 354.458 2.247 10 0 FEAELO CCc1nnc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)n1C ZINC000195112522 328456654 /nfs/dbraw/zinc/45/66/54/328456654.db2.gz UISGIKNFMSRTIQ-UHFFFAOYSA-N 1 2 353.470 2.179 10 0 FEAELO CC(C)[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nc2ccccc2[nH]1 ZINC000043105442 324539184 /nfs/dbraw/zinc/53/91/84/324539184.db2.gz RQTLPDTWQREQCI-WMLDXEAASA-N 1 2 359.474 2.280 10 0 FEAELO C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000052649054 324721472 /nfs/dbraw/zinc/72/14/72/324721472.db2.gz UTUYQHJWNPNQGW-CQSZACIVSA-N 1 2 373.478 2.396 10 0 FEAELO COc1ncccc1NC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076661886 324958925 /nfs/dbraw/zinc/95/89/25/324958925.db2.gz ZAGBGHMSIPOFJY-CYBMUJFWSA-N 1 2 365.393 2.092 10 0 FEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000077367052 324987770 /nfs/dbraw/zinc/98/77/70/324987770.db2.gz QQDPRKPHUOQPHV-STQMWFEESA-N 1 2 360.376 2.310 10 0 FEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000077367043 324987975 /nfs/dbraw/zinc/98/79/75/324987975.db2.gz LBONTZLJMUMVOA-STQMWFEESA-N 1 2 360.376 2.353 10 0 FEAELO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081800922 325198749 /nfs/dbraw/zinc/19/87/49/325198749.db2.gz LASKCXOQQRPXGV-SOLBZPMBSA-N 1 2 356.470 2.480 10 0 FEAELO C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084226 325577792 /nfs/dbraw/zinc/57/77/92/325577792.db2.gz WYFXVNITKPMXDM-CYBMUJFWSA-N 1 2 374.876 2.453 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC2)n1 ZINC000106137064 325585508 /nfs/dbraw/zinc/58/55/08/325585508.db2.gz GWEBRSNFSDLJKY-JKSUJKDBSA-N 1 2 365.522 2.204 10 0 FEAELO COc1cccc(OCC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000110943785 325697083 /nfs/dbraw/zinc/69/70/83/325697083.db2.gz ZMBATRWBBIXKIA-UHFFFAOYSA-N 1 2 361.467 2.183 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[N@@H+]1CCOC ZINC000117372073 326059496 /nfs/dbraw/zinc/05/94/96/326059496.db2.gz ZSYNYADQNLHZAT-ZDUSSCGKSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[N@H+]1CCOC ZINC000117372073 326059499 /nfs/dbraw/zinc/05/94/99/326059499.db2.gz ZSYNYADQNLHZAT-ZDUSSCGKSA-N 1 2 364.870 2.210 10 0 FEAELO O=C(Nc1ccc(F)cc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117399819 326059986 /nfs/dbraw/zinc/05/99/86/326059986.db2.gz VEZNTACYBCMEAE-GOSISDBHSA-N 1 2 373.428 2.415 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(Br)ccc2O)C[C@H]1C ZINC000117424487 326060689 /nfs/dbraw/zinc/06/06/89/326060689.db2.gz FNWLHMXCFBKNML-GFCCVEGCSA-N 1 2 371.275 2.338 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cc(Br)ccc2O)C[C@H]1C ZINC000117424487 326060691 /nfs/dbraw/zinc/06/06/91/326060691.db2.gz FNWLHMXCFBKNML-GFCCVEGCSA-N 1 2 371.275 2.338 10 0 FEAELO CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119242031 326140445 /nfs/dbraw/zinc/14/04/45/326140445.db2.gz YJBXREFJWKLWLM-CVEARBPZSA-N 1 2 374.510 2.039 10 0 FEAELO CC(C)Cn1ccc2cc(NC(=O)NC[C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000120407503 326256002 /nfs/dbraw/zinc/25/60/02/326256002.db2.gz BLAAQFJAHUABAD-GOSISDBHSA-N 1 2 374.485 2.112 10 0 FEAELO CC[C@H]1C[N@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000120971395 326303262 /nfs/dbraw/zinc/30/32/62/326303262.db2.gz XRBCAJKDWFMYQV-WMZOPIPTSA-N 1 2 364.486 2.170 10 0 FEAELO CC[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000120971395 326303263 /nfs/dbraw/zinc/30/32/63/326303263.db2.gz XRBCAJKDWFMYQV-WMZOPIPTSA-N 1 2 364.486 2.170 10 0 FEAELO COc1ccc2c(c1)C[C@@H](C(=O)N1CC[C@H](Oc3cc[nH+]cc3)C1)CO2 ZINC000121228950 326323254 /nfs/dbraw/zinc/32/32/54/326323254.db2.gz UPBMYUVFSJVQDO-QAPCUYQASA-N 1 2 354.406 2.321 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](Cc3ccccc3C(=O)OC)CC2)n1 ZINC000121348048 326331770 /nfs/dbraw/zinc/33/17/70/326331770.db2.gz MKYOKBLYRYQWFT-AWEZNQCLSA-N 1 2 358.442 2.297 10 0 FEAELO COc1cccc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c1OC ZINC000121451240 326339827 /nfs/dbraw/zinc/33/98/27/326339827.db2.gz RWDBXNOWYPFCCP-UHFFFAOYSA-N 1 2 358.486 2.372 10 0 FEAELO CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000121691597 326358554 /nfs/dbraw/zinc/35/85/54/326358554.db2.gz FDCSYLMLSMLAGE-UHFFFAOYSA-N 1 2 350.898 2.170 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cc(F)ccc2OC)nc[nH+]1 ZINC000122174382 326386479 /nfs/dbraw/zinc/38/64/79/326386479.db2.gz IRDUSBYNCNZPEP-CYBMUJFWSA-N 1 2 374.420 2.457 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cc(F)ccc2OC)[nH+]cn1 ZINC000122174382 326386482 /nfs/dbraw/zinc/38/64/82/326386482.db2.gz IRDUSBYNCNZPEP-CYBMUJFWSA-N 1 2 374.420 2.457 10 0 FEAELO C[C@@H](NC(=O)NCCCO[C@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000122223670 326388593 /nfs/dbraw/zinc/38/85/93/326388593.db2.gz SPHMXVKHECMIFC-QAPCUYQASA-N 1 2 358.442 2.428 10 0 FEAELO Cc1ccc(OC(F)F)c(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000124731357 326459080 /nfs/dbraw/zinc/45/90/80/326459080.db2.gz LJFHPWAIMJWFHF-HNNXBMFYSA-N 1 2 369.412 2.213 10 0 FEAELO C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000134792839 326631441 /nfs/dbraw/zinc/63/14/41/326631441.db2.gz GGRJOAWZXUNHHJ-KBPBESRZSA-N 1 2 364.471 2.056 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000151069930 326674188 /nfs/dbraw/zinc/67/41/88/326674188.db2.gz CRUJSBFCEHPFBG-OAHLLOKOSA-N 1 2 371.441 2.141 10 0 FEAELO C[C@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159270472 326925285 /nfs/dbraw/zinc/92/52/85/326925285.db2.gz UNZHZHZFCFBNFF-KBXCAEBGSA-N 1 2 367.453 2.386 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000162445115 327025834 /nfs/dbraw/zinc/02/58/34/327025834.db2.gz PGZAODOYOWIPQW-MRXNPFEDSA-N 1 2 354.410 2.482 10 0 FEAELO Cc1cc(C)c2ncc(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)c(O)c2c1 ZINC000164234171 327066907 /nfs/dbraw/zinc/06/69/07/327066907.db2.gz ZUMDRHDTDUQOIV-QAPCUYQASA-N 1 2 369.465 2.350 10 0 FEAELO c1nnc2ccc(N3CC[NH+](Cc4nc5ccccc5s4)CC3)nn12 ZINC000170941898 327108945 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FEAELO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172744519 327216442 /nfs/dbraw/zinc/21/64/42/327216442.db2.gz NSJYMOFHMWLTDT-OAHLLOKOSA-N 1 2 352.862 2.431 10 0 FEAELO CSc1ncc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1-c1ccccc1 ZINC000172751448 327216846 /nfs/dbraw/zinc/21/68/46/327216846.db2.gz SCEMCYPRGZPDNM-INIZCTEOSA-N 1 2 372.494 2.141 10 0 FEAELO O=C(Cc1ccc(OC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756480 327217333 /nfs/dbraw/zinc/21/73/33/327217333.db2.gz RCFUTSBUIPVBDC-AWEZNQCLSA-N 1 2 358.360 2.061 10 0 FEAELO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761501 327217605 /nfs/dbraw/zinc/21/76/05/327217605.db2.gz XLLUGODLDQBTHA-MRXNPFEDSA-N 1 2 374.872 2.381 10 0 FEAELO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1F ZINC000173067758 327233351 /nfs/dbraw/zinc/23/33/51/327233351.db2.gz TYCHWWAJHSHTTG-CQSZACIVSA-N 1 2 365.449 2.261 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2ccccc2)nc[nH+]1 ZINC000173290115 327247520 /nfs/dbraw/zinc/24/75/20/327247520.db2.gz WEXQRFDLISSJRA-INIZCTEOSA-N 1 2 354.458 2.029 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2ccccc2)[nH+]cn1 ZINC000173290115 327247522 /nfs/dbraw/zinc/24/75/22/327247522.db2.gz WEXQRFDLISSJRA-INIZCTEOSA-N 1 2 354.458 2.029 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CSc2ccccc2)nc[nH+]1 ZINC000173408472 327254138 /nfs/dbraw/zinc/25/41/38/327254138.db2.gz XOBKHWSGPYKZHJ-AWEZNQCLSA-N 1 2 357.483 2.396 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CSc2ccccc2)[nH+]cn1 ZINC000173408472 327254140 /nfs/dbraw/zinc/25/41/40/327254140.db2.gz XOBKHWSGPYKZHJ-AWEZNQCLSA-N 1 2 357.483 2.396 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)c2ccc(F)cc2)nc[nH+]1 ZINC000173422578 327255616 /nfs/dbraw/zinc/25/56/16/327255616.db2.gz ZNHAJJHWFIALKS-OAHLLOKOSA-N 1 2 358.421 2.472 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)c2ccc(F)cc2)[nH+]cn1 ZINC000173422578 327255617 /nfs/dbraw/zinc/25/56/17/327255617.db2.gz ZNHAJJHWFIALKS-OAHLLOKOSA-N 1 2 358.421 2.472 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2cccc(OC)c2)nc[nH+]1 ZINC000173424922 327256033 /nfs/dbraw/zinc/25/60/33/327256033.db2.gz VGJNKDBPHRTRSN-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCc2cccc(OC)c2)[nH+]cn1 ZINC000173424922 327256035 /nfs/dbraw/zinc/25/60/35/327256035.db2.gz VGJNKDBPHRTRSN-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2COC)nc[nH+]1 ZINC000173431363 327256126 /nfs/dbraw/zinc/25/61/26/327256126.db2.gz PMJBIFWYCMLHAZ-HNNXBMFYSA-N 1 2 355.442 2.064 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2COC)[nH+]cn1 ZINC000173431363 327256127 /nfs/dbraw/zinc/25/61/27/327256127.db2.gz PMJBIFWYCMLHAZ-HNNXBMFYSA-N 1 2 355.442 2.064 10 0 FEAELO CCS[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000173447655 327257715 /nfs/dbraw/zinc/25/77/15/327257715.db2.gz AGPZFCYIMAHUGY-XJKSGUPXSA-N 1 2 351.520 2.381 10 0 FEAELO CCS[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000173447655 327257717 /nfs/dbraw/zinc/25/77/17/327257717.db2.gz AGPZFCYIMAHUGY-XJKSGUPXSA-N 1 2 351.520 2.381 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc3nc(C)ccc3o2)nc[nH+]1 ZINC000173447866 327257874 /nfs/dbraw/zinc/25/78/74/327257874.db2.gz DKGQFQFPCWOBHC-ZDUSSCGKSA-N 1 2 366.425 2.367 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc3nc(C)ccc3o2)[nH+]cn1 ZINC000173447866 327257875 /nfs/dbraw/zinc/25/78/75/327257875.db2.gz DKGQFQFPCWOBHC-ZDUSSCGKSA-N 1 2 366.425 2.367 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2ccc(C)o2)nc[nH+]1 ZINC000173464681 327259071 /nfs/dbraw/zinc/25/90/71/327259071.db2.gz GOQQNDGEHUBAPG-UONOGXRCSA-N 1 2 358.446 2.449 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)c2ccc(C)o2)[nH+]cn1 ZINC000173464681 327259072 /nfs/dbraw/zinc/25/90/72/327259072.db2.gz GOQQNDGEHUBAPG-UONOGXRCSA-N 1 2 358.446 2.449 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccnc2NC(C)C)CC1 ZINC000173616151 327271230 /nfs/dbraw/zinc/27/12/30/327271230.db2.gz DWUZSGLLLCKOGC-UHFFFAOYSA-N 1 2 370.501 2.210 10 0 FEAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1 ZINC000173621752 327271421 /nfs/dbraw/zinc/27/14/21/327271421.db2.gz CZHCWVJGFRPHDM-STQMWFEESA-N 1 2 359.499 2.300 10 0 FEAELO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000173623057 327271754 /nfs/dbraw/zinc/27/17/54/327271754.db2.gz VAIDHKKNIYDPIL-OLZOCXBDSA-N 1 2 373.457 2.309 10 0 FEAELO Cc1ccc(OCCCCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173778887 327283574 /nfs/dbraw/zinc/28/35/74/327283574.db2.gz AMOYOMJKXOGSJY-GOSISDBHSA-N 1 2 361.486 2.270 10 0 FEAELO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1F ZINC000173829185 327287212 /nfs/dbraw/zinc/28/72/12/327287212.db2.gz JDFYQXXZTSMCIT-KUHUBIRLSA-N 1 2 372.444 2.113 10 0 FEAELO Cc1ccc(-c2ocnc2C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173834563 327287745 /nfs/dbraw/zinc/28/77/45/327287745.db2.gz AXTXHIHVIMQWQZ-DOTOQJQBSA-N 1 2 355.438 2.443 10 0 FEAELO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1OC(F)F ZINC000173860085 327289594 /nfs/dbraw/zinc/28/95/94/327289594.db2.gz LKDIRLPIFUEJNI-GXTWGEPZSA-N 1 2 370.396 2.089 10 0 FEAELO COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)C1=O ZINC000173877410 327290608 /nfs/dbraw/zinc/29/06/08/327290608.db2.gz JPYCPKRQJUURDO-OAHLLOKOSA-N 1 2 374.466 2.243 10 0 FEAELO C[C@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173880439 327290875 /nfs/dbraw/zinc/29/08/75/327290875.db2.gz OVXJDWZFIFGWLJ-MAUKXSAKSA-N 1 2 368.437 2.062 10 0 FEAELO O=C(N[C@@H]1CCOc2c(Cl)cccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173883574 327291224 /nfs/dbraw/zinc/29/12/24/327291224.db2.gz MROOOMWASRIAIV-XJKSGUPXSA-N 1 2 365.861 2.280 10 0 FEAELO Cc1ccc(C(=O)CCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000173886770 327291642 /nfs/dbraw/zinc/29/16/42/327291642.db2.gz VOOPOBAVYLTUEU-DZGCQCFKSA-N 1 2 350.484 2.199 10 0 FEAELO C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912333 327293889 /nfs/dbraw/zinc/29/38/89/327293889.db2.gz XJKPEAQMUVCVGO-AWEZNQCLSA-N 1 2 359.393 2.339 10 0 FEAELO C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173958837 327297766 /nfs/dbraw/zinc/29/77/66/327297766.db2.gz GSLHKIWGYSZJFH-SUMWQHHRSA-N 1 2 358.417 2.009 10 0 FEAELO C[C@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173961432 327298255 /nfs/dbraw/zinc/29/82/55/327298255.db2.gz WPEDKJHVVQXNHD-YJBOKZPZSA-N 1 2 373.497 2.464 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C[C@@H]1[NH+]1CCOCC1 ZINC000173966344 327298594 /nfs/dbraw/zinc/29/85/94/327298594.db2.gz RFMWKFUPLPSGLW-HZMBPMFUSA-N 1 2 364.446 2.157 10 0 FEAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1ccc(SC(F)F)cc1 ZINC000173986896 327299723 /nfs/dbraw/zinc/29/97/23/327299723.db2.gz LREXTCDUKFXZFB-CQSZACIVSA-N 1 2 371.453 2.346 10 0 FEAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@H]1C ZINC000174320034 327319249 /nfs/dbraw/zinc/31/92/49/327319249.db2.gz WOIWMAFFFUFEFX-IAGOWNOFSA-N 1 2 366.461 2.445 10 0 FEAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@H]1C ZINC000174320034 327319251 /nfs/dbraw/zinc/31/92/51/327319251.db2.gz WOIWMAFFFUFEFX-IAGOWNOFSA-N 1 2 366.461 2.445 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)n1 ZINC000174783279 327350826 /nfs/dbraw/zinc/35/08/26/327350826.db2.gz VURQOPXUYXZDHO-WBMJQRKESA-N 1 2 350.850 2.444 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc3c(c2)CCO3)nc[nH+]1 ZINC000174894660 327359058 /nfs/dbraw/zinc/35/90/58/327359058.db2.gz HIBQSHFKWOLNLK-HNNXBMFYSA-N 1 2 368.441 2.244 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc3c(c2)CCO3)[nH+]cn1 ZINC000174894660 327359059 /nfs/dbraw/zinc/35/90/59/327359059.db2.gz HIBQSHFKWOLNLK-HNNXBMFYSA-N 1 2 368.441 2.244 10 0 FEAELO CCO[C@@H](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000174905390 327360008 /nfs/dbraw/zinc/36/00/08/327360008.db2.gz GIBXYQPQYSCDDJ-MSOLQXFVSA-N 1 2 353.507 2.088 10 0 FEAELO COC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000174950981 327363159 /nfs/dbraw/zinc/36/31/59/327363159.db2.gz NIXQZURAFWHLNV-KBPBESRZSA-N 1 2 355.504 2.234 10 0 FEAELO COC(C)(C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000174950981 327363160 /nfs/dbraw/zinc/36/31/60/327363160.db2.gz NIXQZURAFWHLNV-KBPBESRZSA-N 1 2 355.504 2.234 10 0 FEAELO CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000175061152 327371411 /nfs/dbraw/zinc/37/14/11/327371411.db2.gz NJRHCNUPLJOTKJ-BZUAXINKSA-N 1 2 367.515 2.330 10 0 FEAELO CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000175061152 327371412 /nfs/dbraw/zinc/37/14/12/327371412.db2.gz NJRHCNUPLJOTKJ-BZUAXINKSA-N 1 2 367.515 2.330 10 0 FEAELO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCOC2)[NH+]2CCOCC2)s1 ZINC000176225058 327442001 /nfs/dbraw/zinc/44/20/01/327442001.db2.gz FZZNFHXWBBCQNK-CVEARBPZSA-N 1 2 352.500 2.363 10 0 FEAELO Cc1noc(C)c1CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000176521334 327460627 /nfs/dbraw/zinc/46/06/27/327460627.db2.gz ZTLCCQNBROQRBJ-INIZCTEOSA-N 1 2 363.483 2.427 10 0 FEAELO COc1ccc(NC(=O)C[S@@](=O)Cc2[nH+]ccn2C(C)C)c(OC)c1 ZINC000176882395 327481312 /nfs/dbraw/zinc/48/13/12/327481312.db2.gz ZBLKFBKQKMTGNR-VWLOTQADSA-N 1 2 365.455 2.369 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000176888118 327481871 /nfs/dbraw/zinc/48/18/71/327481871.db2.gz FEBNTAKJCQBYGV-MQNRADLISA-N 1 2 361.467 2.353 10 0 FEAELO CC1CCC(N2C[C@H](C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)CC2=O)CC1 ZINC000177774562 327544179 /nfs/dbraw/zinc/54/41/79/327544179.db2.gz ZZTQAKYIRRARSV-GPQLOAJWSA-N 1 2 358.486 2.301 10 0 FEAELO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4c3NCC4)CC2)cc1 ZINC000262029404 328836506 /nfs/dbraw/zinc/83/65/06/328836506.db2.gz XAFYVSXUPIETCM-UHFFFAOYSA-N 1 2 371.506 2.470 10 0 FEAELO C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Oc1ccc(Br)cc1 ZINC000263140747 328919276 /nfs/dbraw/zinc/91/92/76/328919276.db2.gz CIZOOIRXDFLJSU-JOYOIKCWSA-N 1 2 363.202 2.330 10 0 FEAELO CCn1cc(CN(C)C(=O)C[NH+]2CCN(c3cccc(C)c3)CC2)c(C)n1 ZINC000299799591 536043948 /nfs/dbraw/zinc/04/39/48/536043948.db2.gz SNUJEPJUTHPPIG-UHFFFAOYSA-N 1 2 369.513 2.300 10 0 FEAELO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000158186140 545831742 /nfs/dbraw/zinc/83/17/42/545831742.db2.gz NFNLVZKEICQWIY-CABCVRRESA-N 1 2 350.463 2.473 10 0 FEAELO CC(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159235912 545934106 /nfs/dbraw/zinc/93/41/06/545934106.db2.gz KJGXBMPRDGIVIE-INIZCTEOSA-N 1 2 371.441 2.095 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC[C@H]1CCOC1 ZINC000176224845 546421166 /nfs/dbraw/zinc/42/11/66/546421166.db2.gz ANZHOAIXMDBLBF-JKSUJKDBSA-N 1 2 352.500 2.397 10 0 FEAELO COc1ccccc1CCNC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176887265 546500948 /nfs/dbraw/zinc/50/09/48/546500948.db2.gz MEYJUGWAWIYOHP-VWLOTQADSA-N 1 2 363.483 2.080 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCCc2ccccn2)c2cccs2)CCO1 ZINC000176928203 546510444 /nfs/dbraw/zinc/51/04/44/546510444.db2.gz LPCPAXVWFMWNNL-WBVHZDCISA-N 1 2 374.510 2.447 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCCc2ccccn2)c2cccs2)CCO1 ZINC000176928203 546510452 /nfs/dbraw/zinc/51/04/52/546510452.db2.gz LPCPAXVWFMWNNL-WBVHZDCISA-N 1 2 374.510 2.447 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3cc(-c4ccccc4)oc3C2)C1 ZINC000177485971 546629185 /nfs/dbraw/zinc/62/91/85/546629185.db2.gz RZFMOBXSDHWJOE-QGZVFWFLSA-N 1 2 355.438 2.345 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCc3cc(-c4ccccc4)oc3C2)C1 ZINC000177485971 546629186 /nfs/dbraw/zinc/62/91/86/546629186.db2.gz RZFMOBXSDHWJOE-QGZVFWFLSA-N 1 2 355.438 2.345 10 0 FEAELO O=C(NCCOc1ccc(F)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177502594 546631841 /nfs/dbraw/zinc/63/18/41/546631841.db2.gz PRYWJJALSJHMLH-CYBMUJFWSA-N 1 2 350.369 2.414 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCC(C)(O)CC2)c2cccs2)CCO1 ZINC000177561281 546645605 /nfs/dbraw/zinc/64/56/05/546645605.db2.gz UMUQWCUZSCVZMU-CABCVRRESA-N 1 2 367.515 2.066 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCC(C)(O)CC2)c2cccs2)CCO1 ZINC000177561281 546645610 /nfs/dbraw/zinc/64/56/10/546645610.db2.gz UMUQWCUZSCVZMU-CABCVRRESA-N 1 2 367.515 2.066 10 0 FEAELO CCCCc1nnc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000177703109 546670659 /nfs/dbraw/zinc/67/06/59/546670659.db2.gz VDLOJCRPLVSUOU-QWHCGFSZSA-N 1 2 353.492 2.065 10 0 FEAELO C[C@H]1CN(C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000177776721 546684224 /nfs/dbraw/zinc/68/42/24/546684224.db2.gz LVXHAIQRNREWDZ-FUHWJXTLSA-N 1 2 369.469 2.116 10 0 FEAELO O=C(CCCNC(=O)NC1CCCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177800862 546689094 /nfs/dbraw/zinc/68/90/94/546689094.db2.gz BEMNJVSWCOWXAM-QGZVFWFLSA-N 1 2 361.490 2.286 10 0 FEAELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nn1-c1ccccc1Cl ZINC000180604657 547140436 /nfs/dbraw/zinc/14/04/36/547140436.db2.gz JAQWVZDOXUREHF-HNNXBMFYSA-N 1 2 374.872 2.381 10 0 FEAELO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000182141750 547443875 /nfs/dbraw/zinc/44/38/75/547443875.db2.gz ACPCTHRWHARTAQ-GJZGRUSLSA-N 1 2 352.479 2.288 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000184230493 547791785 /nfs/dbraw/zinc/79/17/85/547791785.db2.gz QXKZVJCKTRNPSW-GOSISDBHSA-N 1 2 361.486 2.201 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000184230493 547791791 /nfs/dbraw/zinc/79/17/91/547791791.db2.gz QXKZVJCKTRNPSW-GOSISDBHSA-N 1 2 361.486 2.201 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000184325980 547808276 /nfs/dbraw/zinc/80/82/76/547808276.db2.gz VIOMBMRRENANHP-QFBILLFUSA-N 1 2 373.497 2.492 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000184325980 547808281 /nfs/dbraw/zinc/80/82/81/547808281.db2.gz VIOMBMRRENANHP-QFBILLFUSA-N 1 2 373.497 2.492 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000184455482 547830574 /nfs/dbraw/zinc/83/05/74/547830574.db2.gz FYSAXVSWBDGREM-KRWDZBQOSA-N 1 2 360.458 2.046 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000184455482 547830579 /nfs/dbraw/zinc/83/05/79/547830579.db2.gz FYSAXVSWBDGREM-KRWDZBQOSA-N 1 2 360.458 2.046 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NC3Cc4ccccc4C3)CC2)s1 ZINC000184929596 547902314 /nfs/dbraw/zinc/90/23/14/547902314.db2.gz BHQQOLMJBMCSNP-UHFFFAOYSA-N 1 2 356.495 2.446 10 0 FEAELO Cn1c(CN2CC[C@@H]([NH+]3CCOCC3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186348891 548122853 /nfs/dbraw/zinc/12/28/53/548122853.db2.gz CDTCNZHWROBZBX-MRXNPFEDSA-N 1 2 361.877 2.042 10 0 FEAELO Cn1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186348891 548122856 /nfs/dbraw/zinc/12/28/56/548122856.db2.gz CDTCNZHWROBZBX-MRXNPFEDSA-N 1 2 361.877 2.042 10 0 FEAELO Cn1c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186348891 548122860 /nfs/dbraw/zinc/12/28/60/548122860.db2.gz CDTCNZHWROBZBX-MRXNPFEDSA-N 1 2 361.877 2.042 10 0 FEAELO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194602932 548503398 /nfs/dbraw/zinc/50/33/98/548503398.db2.gz CBRZPAHJRRNPQY-HNNXBMFYSA-N 1 2 363.458 2.242 10 0 FEAELO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194602932 548503404 /nfs/dbraw/zinc/50/34/04/548503404.db2.gz CBRZPAHJRRNPQY-HNNXBMFYSA-N 1 2 363.458 2.242 10 0 FEAELO CC(C)CC(=O)N[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000194656339 548512667 /nfs/dbraw/zinc/51/26/67/548512667.db2.gz XBLJGGKDSMTPTL-GOSISDBHSA-N 1 2 357.458 2.070 10 0 FEAELO COCCC1(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000246356636 549113505 /nfs/dbraw/zinc/11/35/05/549113505.db2.gz GDLRJBBDRQBARK-HUUCEWRRSA-N 1 2 352.500 2.443 10 0 FEAELO COCCC1(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000246356636 549113509 /nfs/dbraw/zinc/11/35/09/549113509.db2.gz GDLRJBBDRQBARK-HUUCEWRRSA-N 1 2 352.500 2.443 10 0 FEAELO C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H]1[NH+]1CCOCC1 ZINC000246387636 549121498 /nfs/dbraw/zinc/12/14/98/549121498.db2.gz BRVZXPYRLSRVGH-DNVCBOLYSA-N 1 2 360.479 2.181 10 0 FEAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)NCCN1CCc2ccccc21 ZINC000246425069 549131278 /nfs/dbraw/zinc/13/12/78/549131278.db2.gz UNEKFSYEWCZLEK-IBGZPJMESA-N 1 2 353.470 2.116 10 0 FEAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)NCCN1CCc2ccccc21 ZINC000246425069 549131282 /nfs/dbraw/zinc/13/12/82/549131282.db2.gz UNEKFSYEWCZLEK-IBGZPJMESA-N 1 2 353.470 2.116 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2cccc3c2N=S=N3)C[C@H]1[NH+]1CCOCC1 ZINC000246511916 549149909 /nfs/dbraw/zinc/14/99/09/549149909.db2.gz QQKXHLNJNVFQHO-SWLSCSKDSA-N 1 2 361.471 2.004 10 0 FEAELO C[C@H]1C[N@H+](CC(=O)Nc2cccc3c2N=S=N3)C[C@H]1N1CCOCC1 ZINC000246511916 549149913 /nfs/dbraw/zinc/14/99/13/549149913.db2.gz QQKXHLNJNVFQHO-SWLSCSKDSA-N 1 2 361.471 2.004 10 0 FEAELO C[C@H]1C[N@@H+](CC(=O)Nc2cccc3c2N=S=N3)C[C@H]1N1CCOCC1 ZINC000246511916 549149916 /nfs/dbraw/zinc/14/99/16/549149916.db2.gz QQKXHLNJNVFQHO-SWLSCSKDSA-N 1 2 361.471 2.004 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246823369 549222488 /nfs/dbraw/zinc/22/24/88/549222488.db2.gz CJDTWXWGYGTMFM-KMFMINBZSA-N 1 2 364.873 2.070 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)C[C@@H]1C ZINC000246915983 549241798 /nfs/dbraw/zinc/24/17/98/549241798.db2.gz BCGDZNODDKAUCT-GJZGRUSLSA-N 1 2 352.500 2.355 10 0 FEAELO COCC[N@H+]1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)C[C@@H]1C ZINC000246915983 549241799 /nfs/dbraw/zinc/24/17/99/549241799.db2.gz BCGDZNODDKAUCT-GJZGRUSLSA-N 1 2 352.500 2.355 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2F)C[C@H]1C ZINC000246948715 549249117 /nfs/dbraw/zinc/24/91/17/549249117.db2.gz NQFKGFNDLAQVLS-CYBMUJFWSA-N 1 2 362.442 2.005 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2F)C[C@H]1C ZINC000246948715 549249122 /nfs/dbraw/zinc/24/91/22/549249122.db2.gz NQFKGFNDLAQVLS-CYBMUJFWSA-N 1 2 362.442 2.005 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C(C)C)CCO2)[nH]1 ZINC000247257395 549307290 /nfs/dbraw/zinc/30/72/90/549307290.db2.gz ZNCDNDOSBRBWER-QAPCUYQASA-N 1 2 360.458 2.050 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C(C)C)CCO2)[nH]1 ZINC000247257395 549307292 /nfs/dbraw/zinc/30/72/92/549307292.db2.gz ZNCDNDOSBRBWER-QAPCUYQASA-N 1 2 360.458 2.050 10 0 FEAELO CC(C)C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247278456 549310678 /nfs/dbraw/zinc/31/06/78/549310678.db2.gz SPZMVAFLHIUKIZ-XHSDSOJGSA-N 1 2 369.531 2.216 10 0 FEAELO CC(C)C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247278456 549310682 /nfs/dbraw/zinc/31/06/82/549310682.db2.gz SPZMVAFLHIUKIZ-XHSDSOJGSA-N 1 2 369.531 2.216 10 0 FEAELO CCN(C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1)c1ccccc1 ZINC000247926432 549391561 /nfs/dbraw/zinc/39/15/61/549391561.db2.gz ZVLFFWGEVYVTRQ-IEBWSBKVSA-N 1 2 356.470 2.334 10 0 FEAELO CCN(C(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1)c1ccccc1 ZINC000247926432 549391564 /nfs/dbraw/zinc/39/15/64/549391564.db2.gz ZVLFFWGEVYVTRQ-IEBWSBKVSA-N 1 2 356.470 2.334 10 0 FEAELO COCCCN(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000248334500 549419549 /nfs/dbraw/zinc/41/95/49/549419549.db2.gz GDUNRGZGDLWZSU-HUUCEWRRSA-N 1 2 355.504 2.188 10 0 FEAELO COCCCN(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000248334500 549419552 /nfs/dbraw/zinc/41/95/52/549419552.db2.gz GDUNRGZGDLWZSU-HUUCEWRRSA-N 1 2 355.504 2.188 10 0 FEAELO CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248370754 549422486 /nfs/dbraw/zinc/42/24/86/549422486.db2.gz XXFPJKZZEFVPSY-CAOSSQGBSA-N 1 2 369.531 2.216 10 0 FEAELO CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248370754 549422492 /nfs/dbraw/zinc/42/24/92/549422492.db2.gz XXFPJKZZEFVPSY-CAOSSQGBSA-N 1 2 369.531 2.216 10 0 FEAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@@H]12 ZINC000248600603 549465521 /nfs/dbraw/zinc/46/55/21/549465521.db2.gz NTRRHYPCPBYDLB-JHJVBQTASA-N 1 2 366.487 2.317 10 0 FEAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@@H]12 ZINC000248600603 549465525 /nfs/dbraw/zinc/46/55/25/549465525.db2.gz NTRRHYPCPBYDLB-JHJVBQTASA-N 1 2 366.487 2.317 10 0 FEAELO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000248889755 549522198 /nfs/dbraw/zinc/52/21/98/549522198.db2.gz ARFWPROTEDDUNR-FXAWDEMLSA-N 1 2 365.477 2.297 10 0 FEAELO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000248889755 549522201 /nfs/dbraw/zinc/52/22/01/549522201.db2.gz ARFWPROTEDDUNR-FXAWDEMLSA-N 1 2 365.477 2.297 10 0 FEAELO COCc1cccc(CNC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)c1 ZINC000249706194 549617554 /nfs/dbraw/zinc/61/75/54/549617554.db2.gz AUZXBEJJPJJMEP-OTWHNJEPSA-N 1 2 374.481 2.255 10 0 FEAELO COCc1cccc(CNC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)c1 ZINC000249706194 549617557 /nfs/dbraw/zinc/61/75/57/549617557.db2.gz AUZXBEJJPJJMEP-OTWHNJEPSA-N 1 2 374.481 2.255 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000249728090 549619577 /nfs/dbraw/zinc/61/95/77/549619577.db2.gz RIZCCGFSOAEUGX-BMFZPTHFSA-N 1 2 362.495 2.439 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000249728090 549619581 /nfs/dbraw/zinc/61/95/81/549619581.db2.gz RIZCCGFSOAEUGX-BMFZPTHFSA-N 1 2 362.495 2.439 10 0 FEAELO O=S(=O)(c1cccc(Br)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249779165 549627692 /nfs/dbraw/zinc/62/76/92/549627692.db2.gz YODMKGDPIXQFIP-ZDUSSCGKSA-N 1 2 359.289 2.308 10 0 FEAELO O=S(=O)(c1cccc(Br)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249779165 549627694 /nfs/dbraw/zinc/62/76/94/549627694.db2.gz YODMKGDPIXQFIP-ZDUSSCGKSA-N 1 2 359.289 2.308 10 0 FEAELO O=C(Nc1cccc(F)c1)C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263248465 549889087 /nfs/dbraw/zinc/88/90/87/549889087.db2.gz PPOLYXZLDRVFBU-AWEZNQCLSA-N 1 2 355.360 2.000 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000263283196 549892155 /nfs/dbraw/zinc/89/21/55/549892155.db2.gz UOZRGLBPBJETJC-CQSZACIVSA-N 1 2 361.396 2.175 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263283196 549892157 /nfs/dbraw/zinc/89/21/57/549892157.db2.gz UOZRGLBPBJETJC-CQSZACIVSA-N 1 2 361.396 2.175 10 0 FEAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCCc2ccc3[nH]ccc3c2)CCN1C ZINC000281994629 551167344 /nfs/dbraw/zinc/16/73/44/551167344.db2.gz PVOCQCAESRBZBJ-SFHVURJKSA-N 1 2 366.469 2.142 10 0 FEAELO CS(=O)(=O)CC1(CNc2cc(C(F)(F)F)cc[nH+]2)CCOCC1 ZINC000301849492 553685128 /nfs/dbraw/zinc/68/51/28/553685128.db2.gz WCABNVZAFANDRC-UHFFFAOYSA-N 1 2 352.378 2.354 10 0 FEAELO Cc1cc(NCCCN2CCS(=O)(=O)CC2)c2cccc(F)c2[nH+]1 ZINC000301992996 553696789 /nfs/dbraw/zinc/69/67/89/553696789.db2.gz GNQQJNBPXZRHGO-UHFFFAOYSA-N 1 2 351.447 2.215 10 0 FEAELO Cc1ccc(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)c2cccnc12 ZINC000328618761 553797042 /nfs/dbraw/zinc/79/70/42/553797042.db2.gz FBBAMCBOLVSWSD-AWEZNQCLSA-N 1 2 356.451 2.281 10 0 FEAELO Cc1sccc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000560322041 674577091 /nfs/dbraw/zinc/57/70/91/674577091.db2.gz HPGYGNDQBGUBQL-RHSMWYFYSA-N 1 2 358.467 2.415 10 0 FEAELO C[NH+](C)C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1 ZINC000047860001 670253193 /nfs/dbraw/zinc/25/31/93/670253193.db2.gz NURPHYKUHLUMAE-QGZVFWFLSA-N 1 2 352.500 2.153 10 0 FEAELO Cc1nc(CC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C)s1 ZINC000164153881 672312019 /nfs/dbraw/zinc/31/20/19/672312019.db2.gz KFUJPPCTRWJDRT-GOSISDBHSA-N 1 2 359.495 2.180 10 0 FEAELO Cc1csc([C@@H]2CCC[N@@H+](CN3C(=O)C(=O)N(CC(C)C)C3=O)C2)n1 ZINC000195306992 672781789 /nfs/dbraw/zinc/78/17/89/672781789.db2.gz HXGYHSJWJBRKSQ-CYBMUJFWSA-N 1 2 364.471 2.035 10 0 FEAELO Cc1csc([C@@H]2CCC[N@H+](CN3C(=O)C(=O)N(CC(C)C)C3=O)C2)n1 ZINC000195306992 672781795 /nfs/dbraw/zinc/78/17/95/672781795.db2.gz HXGYHSJWJBRKSQ-CYBMUJFWSA-N 1 2 364.471 2.035 10 0 FEAELO O=C(c1nn2c(c1Cl)OCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000223774421 672793843 /nfs/dbraw/zinc/79/38/43/672793843.db2.gz DVOLAHHQOXQYEX-UHFFFAOYSA-N 1 2 360.845 2.277 10 0 FEAELO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247646602 672851976 /nfs/dbraw/zinc/85/19/76/672851976.db2.gz UNHRSTXDMXLJBO-NCXUSEDFSA-N 1 2 352.519 2.397 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000247705774 672852455 /nfs/dbraw/zinc/85/24/55/672852455.db2.gz YVNJKNHLKVKHDU-RYUDHWBXSA-N 1 2 365.396 2.139 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000247705774 672852459 /nfs/dbraw/zinc/85/24/59/672852459.db2.gz YVNJKNHLKVKHDU-RYUDHWBXSA-N 1 2 365.396 2.139 10 0 FEAELO O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262994064 672925501 /nfs/dbraw/zinc/92/55/01/672925501.db2.gz OBXBGYAIEYIHDA-WDEREUQCSA-N 1 2 361.186 2.386 10 0 FEAELO O=S(=O)(Cc1c(F)cccc1F)Nc1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000888076043 688544615 /nfs/dbraw/zinc/54/46/15/688544615.db2.gz RPYPJPZWWYBNIO-CYBMUJFWSA-N 1 2 354.382 2.121 10 0 FEAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000042041195 540047732 /nfs/dbraw/zinc/04/77/32/540047732.db2.gz QYDKPOSWKOCXHM-OAHLLOKOSA-N 1 2 369.446 2.380 10 0 FEAELO C[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cn1)[NH+]1CCOCC1 ZINC000046269087 540250389 /nfs/dbraw/zinc/25/03/89/540250389.db2.gz VQGFPUDXEUGZFT-LLVKDONJSA-N 1 2 363.405 2.029 10 0 FEAELO C[C@H]1C[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000051115886 540422299 /nfs/dbraw/zinc/42/22/99/540422299.db2.gz CTQHOLIYOPXRPZ-STQMWFEESA-N 1 2 360.376 2.310 10 0 FEAELO C[C@H]1C[NH+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000061803178 541139769 /nfs/dbraw/zinc/13/97/69/541139769.db2.gz JRSJLTDSUDKANQ-GJZGRUSLSA-N 1 2 351.878 2.098 10 0 FEAELO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000066896717 541388940 /nfs/dbraw/zinc/38/89/40/541388940.db2.gz AZNNEQQPZFPBBE-SFHVURJKSA-N 1 2 356.470 2.231 10 0 FEAELO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000066896717 541388942 /nfs/dbraw/zinc/38/89/42/541388942.db2.gz AZNNEQQPZFPBBE-SFHVURJKSA-N 1 2 356.470 2.231 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000077370865 542374105 /nfs/dbraw/zinc/37/41/05/542374105.db2.gz IRPSIOHPWBPLBW-GASCZTMLSA-N 1 2 351.878 2.098 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000077370865 542374108 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CCSCc1cc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)no1 ZINC000184504711 547837742 /nfs/dbraw/zinc/83/77/42/547837742.db2.gz CKSCGOSYVNVCRT-UHFFFAOYSA-N 1 2 363.487 2.009 10 0 FEAELO Cc1ccnn1-c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184535678 547842010 /nfs/dbraw/zinc/84/20/10/547842010.db2.gz YRTVBXUBNOICQR-MRXNPFEDSA-N 1 2 355.442 2.119 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)CCCCc3c[nH]nn3)CC2)cs1 ZINC000184756646 547875936 /nfs/dbraw/zinc/87/59/36/547875936.db2.gz FGEZLMIIHCXWII-UHFFFAOYSA-N 1 2 362.503 2.017 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)CCCCc3c[nH]nn3)CC2)cs1 ZINC000184756646 547875941 /nfs/dbraw/zinc/87/59/41/547875941.db2.gz FGEZLMIIHCXWII-UHFFFAOYSA-N 1 2 362.503 2.017 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cc3cc(-c4cnn(C)c4)no3)CC2)s1 ZINC000184998442 547915581 /nfs/dbraw/zinc/91/55/81/547915581.db2.gz VXOOANVYRBZYDV-UHFFFAOYSA-N 1 2 358.471 2.158 10 0 FEAELO Cc1ncc(CN2CC[NH+](Cc3cc(-c4cnn(C)c4)no3)CC2)s1 ZINC000184998442 547915586 /nfs/dbraw/zinc/91/55/86/547915586.db2.gz 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C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cccc3n[nH]nc32)c2cccs2)CCO1 ZINC000188287312 548276422 /nfs/dbraw/zinc/27/64/22/548276422.db2.gz IEFGHKHCZOCAIM-WFASDCNBSA-N 1 2 371.466 2.211 10 0 FEAELO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nnc(C(C)C)n3C)C2)n1 ZINC000195090537 548576254 /nfs/dbraw/zinc/57/62/54/548576254.db2.gz WVRHUGIASXGYDH-HNNXBMFYSA-N 1 2 356.474 2.493 10 0 FEAELO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nnc(C(C)C)n3C)C2)n1 ZINC000195090537 548576256 /nfs/dbraw/zinc/57/62/56/548576256.db2.gz WVRHUGIASXGYDH-HNNXBMFYSA-N 1 2 356.474 2.493 10 0 FEAELO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507677 548651594 /nfs/dbraw/zinc/65/15/94/548651594.db2.gz AMKCXIJVIOGXGT-LBPRGKRZSA-N 1 2 359.405 2.465 10 0 FEAELO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245869479 549006912 /nfs/dbraw/zinc/00/69/12/549006912.db2.gz VRRYTZYOEHAIMS-YJBOKZPZSA-N 1 2 369.465 2.291 10 0 FEAELO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245869479 549006917 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FEAELO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(O)c(Br)ccc1OC ZINC000034070788 208101915 /nfs/dbraw/zinc/10/19/15/208101915.db2.gz PWEZBNRZEHPIIQ-SNVBAGLBSA-N 1 2 357.248 2.377 10 0 FEAELO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(O)c(Br)ccc1OC ZINC000034070788 208101919 /nfs/dbraw/zinc/10/19/19/208101919.db2.gz PWEZBNRZEHPIIQ-SNVBAGLBSA-N 1 2 357.248 2.377 10 0 FEAELO CC[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077385692 542376260 /nfs/dbraw/zinc/37/62/60/542376260.db2.gz SXVLCNNHIFNEIO-MRXNPFEDSA-N 1 2 351.472 2.439 10 0 FEAELO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077385692 542376264 /nfs/dbraw/zinc/37/62/64/542376264.db2.gz SXVLCNNHIFNEIO-MRXNPFEDSA-N 1 2 351.472 2.439 10 0 FEAELO CC(=O)N[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000095509185 209067515 /nfs/dbraw/zinc/06/75/15/209067515.db2.gz SPAXYBVRKALQSX-RBUKOAKNSA-N 1 2 371.506 2.277 10 0 FEAELO CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000095509185 209067519 /nfs/dbraw/zinc/06/75/19/209067519.db2.gz SPAXYBVRKALQSX-RBUKOAKNSA-N 1 2 371.506 2.277 10 0 FEAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)c1ccccc1Cl ZINC000224358813 132283306 /nfs/dbraw/zinc/28/33/06/132283306.db2.gz FUWAZIPLBBQHHM-UHFFFAOYSA-N 1 2 361.833 2.285 10 0 FEAELO COc1c(CN2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)c(C)nn1C ZINC000093841073 542942744 /nfs/dbraw/zinc/94/27/44/542942744.db2.gz HMYCSKOMFGDTDV-UHFFFAOYSA-N 1 2 374.485 2.072 10 0 FEAELO COc1c(C[NH+]2CCN(Cc3cc(OC)cc(OC)c3)CC2)c(C)nn1C ZINC000093841073 542942747 /nfs/dbraw/zinc/94/27/47/542942747.db2.gz HMYCSKOMFGDTDV-UHFFFAOYSA-N 1 2 374.485 2.072 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000101564879 543033085 /nfs/dbraw/zinc/03/30/85/543033085.db2.gz WZYASSDBEOOOPL-MRXNPFEDSA-N 1 2 374.485 2.332 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000101564879 543033087 /nfs/dbraw/zinc/03/30/87/543033087.db2.gz WZYASSDBEOOOPL-MRXNPFEDSA-N 1 2 374.485 2.332 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000101565296 543034236 /nfs/dbraw/zinc/03/42/36/543034236.db2.gz GONQDLDRSYESLB-MRXNPFEDSA-N 1 2 351.878 2.337 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2)C1 ZINC000101565296 543034238 /nfs/dbraw/zinc/03/42/38/543034238.db2.gz GONQDLDRSYESLB-MRXNPFEDSA-N 1 2 351.878 2.337 10 0 FEAELO CCCC(=O)N[C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000101792170 543045857 /nfs/dbraw/zinc/04/58/57/543045857.db2.gz DDVUFTSZSKDYQV-KRWDZBQOSA-N 1 2 373.501 2.141 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)=O)C1 ZINC000103478146 543111401 /nfs/dbraw/zinc/11/14/01/543111401.db2.gz KUPBAXFVQJHDSU-OAHLLOKOSA-N 1 2 355.442 2.319 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)=O)C1 ZINC000103478146 543111402 /nfs/dbraw/zinc/11/14/02/543111402.db2.gz KUPBAXFVQJHDSU-OAHLLOKOSA-N 1 2 355.442 2.319 10 0 FEAELO CN(CCCOc1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104799741 543145443 /nfs/dbraw/zinc/14/54/43/543145443.db2.gz FUJBGVKMZCNIEA-MRXNPFEDSA-N 1 2 355.866 2.081 10 0 FEAELO CN(CCCOc1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104799741 543145444 /nfs/dbraw/zinc/14/54/44/543145444.db2.gz FUJBGVKMZCNIEA-MRXNPFEDSA-N 1 2 355.866 2.081 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3CCc4ccccc4C3)CC2)s1 ZINC000106091200 543194622 /nfs/dbraw/zinc/19/46/22/543194622.db2.gz LGZJWJSSIJKNQI-UHFFFAOYSA-N 1 2 370.522 2.154 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)n1 ZINC000106133932 543206691 /nfs/dbraw/zinc/20/66/91/543206691.db2.gz UGTMETUUQGFRIY-GJZGRUSLSA-N 1 2 351.495 2.091 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)n1 ZINC000106137348 543207302 /nfs/dbraw/zinc/20/73/02/543207302.db2.gz VLJYBEZOFJBUQU-IUODEOHRSA-N 1 2 366.412 2.322 10 0 FEAELO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144738 543207605 /nfs/dbraw/zinc/20/76/05/543207605.db2.gz GEMKDLWKLFYDAV-INIZCTEOSA-N 1 2 363.550 2.449 10 0 FEAELO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000106189156 543215415 /nfs/dbraw/zinc/21/54/15/543215415.db2.gz IXFFKYXZGCCGQK-LJQANCHMSA-N 1 2 356.470 2.170 10 0 FEAELO CC(C)CNC(=O)c1cccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000106189156 543215416 /nfs/dbraw/zinc/21/54/16/543215416.db2.gz IXFFKYXZGCCGQK-LJQANCHMSA-N 1 2 356.470 2.170 10 0 FEAELO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106192447 543216242 /nfs/dbraw/zinc/21/62/42/543216242.db2.gz AKIBVHDETKGISW-OALUTQOASA-N 1 2 356.470 2.194 10 0 FEAELO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106192447 543216245 /nfs/dbraw/zinc/21/62/45/543216245.db2.gz AKIBVHDETKGISW-OALUTQOASA-N 1 2 356.470 2.194 10 0 FEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000106210986 543218334 /nfs/dbraw/zinc/21/83/34/543218334.db2.gz MHXGODPRXJWZGL-KRWDZBQOSA-N 1 2 367.453 2.159 10 0 FEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21 ZINC000106210986 543218335 /nfs/dbraw/zinc/21/83/35/543218335.db2.gz MHXGODPRXJWZGL-KRWDZBQOSA-N 1 2 367.453 2.159 10 0 FEAELO C[C@@H](CNC(=O)CCc1cc(Br)cs1)[NH+]1CCOCC1 ZINC000107216743 543263481 /nfs/dbraw/zinc/26/34/81/543263481.db2.gz BNGURJKYWYVERP-NSHDSACASA-N 1 2 361.305 2.280 10 0 FEAELO C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000108947063 543308873 /nfs/dbraw/zinc/30/88/73/543308873.db2.gz GRBTWUWZNBABNJ-RHSMWYFYSA-N 1 2 356.426 2.209 10 0 FEAELO COc1ccc(F)cc1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000109645731 543330668 /nfs/dbraw/zinc/33/06/68/543330668.db2.gz CAOOLUGGRWELEI-SFHVURJKSA-N 1 2 358.413 2.326 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NCc2cccc(Cn3cccn3)c2)[nH+]cn1 ZINC000110254835 543353468 /nfs/dbraw/zinc/35/34/68/543353468.db2.gz AWOZDSGLYDLJKX-SFHVURJKSA-N 1 2 364.453 2.295 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NCc2cccc(Cn3cccn3)c2)nc[nH+]1 ZINC000110254835 543353472 /nfs/dbraw/zinc/35/34/72/543353472.db2.gz AWOZDSGLYDLJKX-SFHVURJKSA-N 1 2 364.453 2.295 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCc3cccc(O)c3)CC2)s1 ZINC000111851832 543420362 /nfs/dbraw/zinc/42/03/62/543420362.db2.gz HDSOORSZXKKCJA-UHFFFAOYSA-N 1 2 360.483 2.227 10 0 FEAELO CCc1noc([C@H](C)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)n1 ZINC000112086333 543429681 /nfs/dbraw/zinc/42/96/81/543429681.db2.gz IMTGAWCFONXRRF-HNNXBMFYSA-N 1 2 371.489 2.296 10 0 FEAELO C[N@@H+]1CCO[C@H](CN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000112548841 543451545 /nfs/dbraw/zinc/45/15/45/543451545.db2.gz XBRFXESQAYJXOI-MOPGFXCFSA-N 1 2 357.429 2.426 10 0 FEAELO C[N@H+]1CCO[C@H](CN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000112548841 543451546 /nfs/dbraw/zinc/45/15/46/543451546.db2.gz XBRFXESQAYJXOI-MOPGFXCFSA-N 1 2 357.429 2.426 10 0 FEAELO CCCCCS(=O)(=O)CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112665720 543456538 /nfs/dbraw/zinc/45/65/38/543456538.db2.gz PFDXVHGVQLUKJX-UHFFFAOYSA-N 1 2 355.504 2.033 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)cn1 ZINC000112729034 543460908 /nfs/dbraw/zinc/46/09/08/543460908.db2.gz QWUWYYKDOZDCBN-UHFFFAOYSA-N 1 2 358.490 2.272 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)cn1 ZINC000112729034 543460909 /nfs/dbraw/zinc/46/09/09/543460909.db2.gz QWUWYYKDOZDCBN-UHFFFAOYSA-N 1 2 358.490 2.272 10 0 FEAELO COCCOc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483025 543520207 /nfs/dbraw/zinc/52/02/07/543520207.db2.gz BFEFQQHIMJOMCA-LJQANCHMSA-N 1 2 372.469 2.278 10 0 FEAELO COCCOc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483025 543520209 /nfs/dbraw/zinc/52/02/09/543520209.db2.gz BFEFQQHIMJOMCA-LJQANCHMSA-N 1 2 372.469 2.278 10 0 FEAELO CCc1nc2n(n1)C[C@H](NC(=O)NCCC[N@@H+](CC)c1ccccc1)CC2 ZINC000114916734 543544360 /nfs/dbraw/zinc/54/43/60/543544360.db2.gz QIMQKKKTUWCECT-MRXNPFEDSA-N 1 2 370.501 2.371 10 0 FEAELO CCc1nc2n(n1)C[C@H](NC(=O)NCCC[N@H+](CC)c1ccccc1)CC2 ZINC000114916734 543544363 /nfs/dbraw/zinc/54/43/63/543544363.db2.gz QIMQKKKTUWCECT-MRXNPFEDSA-N 1 2 370.501 2.371 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccccc2N(C)C)CC1 ZINC000115753924 543584165 /nfs/dbraw/zinc/58/41/65/543584165.db2.gz BZWWEPZJCDVEHH-UHFFFAOYSA-N 1 2 370.501 2.453 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000117370018 543630552 /nfs/dbraw/zinc/63/05/52/543630552.db2.gz VAVFDTDLOWQJKF-LLVKDONJSA-N 1 2 367.298 2.335 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000117370018 543630553 /nfs/dbraw/zinc/63/05/53/543630553.db2.gz VAVFDTDLOWQJKF-LLVKDONJSA-N 1 2 367.298 2.335 10 0 FEAELO CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC000125255134 543870712 /nfs/dbraw/zinc/87/07/12/543870712.db2.gz VSXVTGIBEDDLRR-IBGZPJMESA-N 1 2 359.514 2.243 10 0 FEAELO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC000125255134 543870716 /nfs/dbraw/zinc/87/07/16/543870716.db2.gz VSXVTGIBEDDLRR-IBGZPJMESA-N 1 2 359.514 2.243 10 0 FEAELO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000127739167 544010963 /nfs/dbraw/zinc/01/09/63/544010963.db2.gz KPHONBBNWCAVNA-GFCCVEGCSA-N 1 2 361.519 2.479 10 0 FEAELO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000127739167 544010967 /nfs/dbraw/zinc/01/09/67/544010967.db2.gz KPHONBBNWCAVNA-GFCCVEGCSA-N 1 2 361.519 2.479 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C1(O)CCCCC1 ZINC000129160610 544094290 /nfs/dbraw/zinc/09/42/90/544094290.db2.gz MSKQFKWRQRTYOC-HNNXBMFYSA-N 1 2 352.500 2.275 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)NCc1cc(F)cc(F)c1 ZINC000131238576 544181513 /nfs/dbraw/zinc/18/15/13/544181513.db2.gz JWGXPMCNZGALFX-XMMPIXPASA-N 1 2 355.410 2.307 10 0 FEAELO COc1ccc2c(=O)cc(-c3cnn(CC[NH+]4CCOCC4)c3)[nH]c2c1C ZINC000146771719 544441593 /nfs/dbraw/zinc/44/15/93/544441593.db2.gz HQJIIMXZHPBVGK-UHFFFAOYSA-N 1 2 368.437 2.453 10 0 FEAELO Cc1ccccc1-c1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000153325765 544761091 /nfs/dbraw/zinc/76/10/91/544761091.db2.gz CQEZQQIRXQMBSA-MRXNPFEDSA-N 1 2 369.469 2.334 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)c2cccs2)CCO1 ZINC000153360800 544766461 /nfs/dbraw/zinc/76/64/61/544766461.db2.gz SAYWGFRFDJNPLG-CJNGLKHVSA-N 1 2 371.462 2.213 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)c2cccs2)CCO1 ZINC000153360800 544766466 /nfs/dbraw/zinc/76/64/66/544766466.db2.gz SAYWGFRFDJNPLG-CJNGLKHVSA-N 1 2 371.462 2.213 10 0 FEAELO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000247532159 549351603 /nfs/dbraw/zinc/35/16/03/549351603.db2.gz CCTVBQKMPAZVNC-LJQANCHMSA-N 1 2 369.444 2.148 10 0 FEAELO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000247532159 549351604 /nfs/dbraw/zinc/35/16/04/549351604.db2.gz CCTVBQKMPAZVNC-LJQANCHMSA-N 1 2 369.444 2.148 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000155009636 544977013 /nfs/dbraw/zinc/97/70/13/544977013.db2.gz WQMJSWSTVAIRSB-UHFFFAOYSA-N 1 2 362.424 2.202 10 0 FEAELO CCC[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCO1 ZINC000183804136 327836889 /nfs/dbraw/zinc/83/68/89/327836889.db2.gz IQNUEDJVBHDMGR-ROUUACIJSA-N 1 2 362.518 2.276 10 0 FEAELO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000185586121 327923659 /nfs/dbraw/zinc/92/36/59/327923659.db2.gz DYDDELFOPSVLFA-LSDHHAIUSA-N 1 2 362.499 2.436 10 0 FEAELO CC(C)CN1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1=O ZINC000186952847 327992966 /nfs/dbraw/zinc/99/29/66/327992966.db2.gz ZRMAQCZUIYXOAX-MRXNPFEDSA-N 1 2 369.469 2.443 10 0 FEAELO COC(=O)CCCCC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000188905794 328117243 /nfs/dbraw/zinc/11/72/43/328117243.db2.gz AEZHDELEXBHTDP-HNNXBMFYSA-N 1 2 368.499 2.279 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000189158430 328132454 /nfs/dbraw/zinc/13/24/54/328132454.db2.gz FIMWZMUIPRABHC-AWEZNQCLSA-N 1 2 360.351 2.323 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000189158430 328132456 /nfs/dbraw/zinc/13/24/56/328132456.db2.gz FIMWZMUIPRABHC-AWEZNQCLSA-N 1 2 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CC[C@H](C)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191986288 328291982 /nfs/dbraw/zinc/29/19/82/328291982.db2.gz DMVLTQJUSMMECL-LSDHHAIUSA-N 1 2 355.523 2.028 10 0 FEAELO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192000458 328292811 /nfs/dbraw/zinc/29/28/11/328292811.db2.gz QLPLXROIRGJUTP-OAHLLOKOSA-N 1 2 367.877 2.458 10 0 FEAELO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192000458 328292812 /nfs/dbraw/zinc/29/28/12/328292812.db2.gz QLPLXROIRGJUTP-OAHLLOKOSA-N 1 2 367.877 2.458 10 0 FEAELO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192000458 328292813 /nfs/dbraw/zinc/29/28/13/328292813.db2.gz QLPLXROIRGJUTP-OAHLLOKOSA-N 1 2 367.877 2.458 10 0 FEAELO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192000458 328292814 /nfs/dbraw/zinc/29/28/14/328292814.db2.gz QLPLXROIRGJUTP-OAHLLOKOSA-N 1 2 367.877 2.458 10 0 FEAELO CCc1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000192160548 328303812 /nfs/dbraw/zinc/30/38/12/328303812.db2.gz XOJBUCYXVRWFHK-HNNXBMFYSA-N 1 2 364.490 2.240 10 0 FEAELO CCc1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000192160548 328303813 /nfs/dbraw/zinc/30/38/13/328303813.db2.gz XOJBUCYXVRWFHK-HNNXBMFYSA-N 1 2 364.490 2.240 10 0 FEAELO CCOC1CC(CNC(=O)N[C@H](C)c2cccs2)([NH+]2CCOCC2)C1 ZINC000192459920 328320313 /nfs/dbraw/zinc/32/03/13/328320313.db2.gz VFEIKIQJMMKKFR-KSTDHSDQSA-N 1 2 367.515 2.378 10 0 FEAELO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)NCCN1CCc2ccccc21 ZINC000193577455 328382752 /nfs/dbraw/zinc/38/27/52/328382752.db2.gz SYIMAFAKIWEHRJ-HNNXBMFYSA-N 1 2 355.404 2.440 10 0 FEAELO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)NCCN1CCc2ccccc21 ZINC000193577455 328382754 /nfs/dbraw/zinc/38/27/54/328382754.db2.gz SYIMAFAKIWEHRJ-HNNXBMFYSA-N 1 2 355.404 2.440 10 0 FEAELO O=S(=O)(c1ccccc1F)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038554349 324494698 /nfs/dbraw/zinc/49/46/98/324494698.db2.gz MHGYPSHKPCWGOI-UHFFFAOYSA-N 1 2 360.414 2.213 10 0 FEAELO Cc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCCO2)[NH+]2CCOCC2)c1 ZINC000049080545 324679256 /nfs/dbraw/zinc/67/92/56/324679256.db2.gz GTBUYLCJTXAGTI-WDSOQIARSA-N 1 2 361.486 2.235 10 0 FEAELO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551284 325135983 /nfs/dbraw/zinc/13/59/83/325135983.db2.gz DIEJULIZDYMLDP-RHSMWYFYSA-N 1 2 355.442 2.099 10 0 FEAELO CCC[C@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC)c1ccccc1 ZINC000083066805 325212888 /nfs/dbraw/zinc/21/28/88/325212888.db2.gz OKTYOTYABVUWDC-INIZCTEOSA-N 1 2 363.483 2.475 10 0 FEAELO CCn1cc[nH+]c1CSCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000083632012 325221132 /nfs/dbraw/zinc/22/11/32/325221132.db2.gz RYXQHTXZGKTQLS-UHFFFAOYSA-N 1 2 369.512 2.466 10 0 FEAELO CC(C)c1ccc([C@@H](C)NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000083694154 325221557 /nfs/dbraw/zinc/22/15/57/325221557.db2.gz CUOPRMWTRGWOIX-APWZRJJASA-N 1 2 363.502 2.206 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CC(=O)Nc2ccccc2C)CC1 ZINC000106143849 325586188 /nfs/dbraw/zinc/58/61/88/325586188.db2.gz KBLYEUUNNPXORX-UHFFFAOYSA-N 1 2 355.486 2.102 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000106372021 325595915 /nfs/dbraw/zinc/59/59/15/325595915.db2.gz CHASUKBCXYVEJM-CYBMUJFWSA-N 1 2 369.469 2.028 10 0 FEAELO CC(C)(C)n1cc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000109644729 325672322 /nfs/dbraw/zinc/67/23/22/325672322.db2.gz JCFWUGRODBVBCF-GOSISDBHSA-N 1 2 356.470 2.130 10 0 FEAELO Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@@H](c4nccs4)C3)cn21 ZINC000111863856 325741974 /nfs/dbraw/zinc/74/19/74/325741974.db2.gz QRJMYJIWUWLNCD-CQSZACIVSA-N 1 2 357.439 2.382 10 0 FEAELO CO[C@@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)c1ccccc1 ZINC000115389138 325955442 /nfs/dbraw/zinc/95/54/42/325955442.db2.gz HLHHOKKFUXVRQD-LJQANCHMSA-N 1 2 356.470 2.069 10 0 FEAELO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116290071 326003939 /nfs/dbraw/zinc/00/39/39/326003939.db2.gz FYPDIWQWAZJAAC-INIZCTEOSA-N 1 2 371.437 2.488 10 0 FEAELO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116290071 326003940 /nfs/dbraw/zinc/00/39/40/326003940.db2.gz FYPDIWQWAZJAAC-INIZCTEOSA-N 1 2 371.437 2.488 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCCOC(C)C)CC2)cs1 ZINC000116414598 326012682 /nfs/dbraw/zinc/01/26/82/326012682.db2.gz VVBUOKZZGYYIJK-UHFFFAOYSA-N 1 2 354.520 2.484 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCCOC(C)C)CC2)cs1 ZINC000116414598 326012683 /nfs/dbraw/zinc/01/26/83/326012683.db2.gz VVBUOKZZGYYIJK-UHFFFAOYSA-N 1 2 354.520 2.484 10 0 FEAELO CC[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC000117309632 326056543 /nfs/dbraw/zinc/05/65/43/326056543.db2.gz SVLVXENBIZSNON-QGZVFWFLSA-N 1 2 364.511 2.172 10 0 FEAELO CC[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)CC[N@H+]1CCOC ZINC000117309632 326056545 /nfs/dbraw/zinc/05/65/45/326056545.db2.gz SVLVXENBIZSNON-QGZVFWFLSA-N 1 2 364.511 2.172 10 0 FEAELO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000118115826 326082997 /nfs/dbraw/zinc/08/29/97/326082997.db2.gz IWWSUVOMPJASKO-OAHLLOKOSA-N 1 2 361.486 2.319 10 0 FEAELO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000118115826 326083000 /nfs/dbraw/zinc/08/30/00/326083000.db2.gz IWWSUVOMPJASKO-OAHLLOKOSA-N 1 2 361.486 2.319 10 0 FEAELO CC[C@H](O)CN1CC[NH+](CCC(=O)Nc2ccccc2SC)CC1 ZINC000118857164 326108533 /nfs/dbraw/zinc/10/85/33/326108533.db2.gz KHVVEIOVCMRHOD-HNNXBMFYSA-N 1 2 351.516 2.126 10 0 FEAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1 ZINC000120276687 326245807 /nfs/dbraw/zinc/24/58/07/326245807.db2.gz XHECDSWBQIAAJJ-AEFFLSMTSA-N 1 2 372.513 2.382 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)n1 ZINC000121274003 326326154 /nfs/dbraw/zinc/32/61/54/326326154.db2.gz TWZDCMPZXXPOIM-AWEZNQCLSA-N 1 2 367.457 2.052 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)n1 ZINC000121327636 326329702 /nfs/dbraw/zinc/32/97/02/326329702.db2.gz QBIFPIDGMUVOGC-CQSZACIVSA-N 1 2 367.457 2.052 10 0 FEAELO CCc1cccc(CC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000151688567 326688713 /nfs/dbraw/zinc/68/87/13/326688713.db2.gz LZIWUWJGQIUAOJ-UHFFFAOYSA-N 1 2 354.498 2.486 10 0 FEAELO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1nnc2n1CCCC2 ZINC000163246607 327047117 /nfs/dbraw/zinc/04/71/17/327047117.db2.gz XBQWRAIPANMVND-CQSZACIVSA-N 1 2 369.473 2.039 10 0 FEAELO C[C@H](CNC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[NH+]1CCOCC1 ZINC000163581036 327054612 /nfs/dbraw/zinc/05/46/12/327054612.db2.gz PHNVWJIUANLXIN-AOIWGVFYSA-N 1 2 361.486 2.174 10 0 FEAELO Cc1ccc(N2CCCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)nn1 ZINC000170939159 327108653 /nfs/dbraw/zinc/10/86/53/327108653.db2.gz YDPXAXXHVCUZQP-UHFFFAOYSA-N 1 2 354.380 2.256 10 0 FEAELO CC(=O)c1ccccc1OCCN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000170944140 327109305 /nfs/dbraw/zinc/10/93/05/327109305.db2.gz BLUGFBPZMIBHCP-UHFFFAOYSA-N 1 2 356.470 2.209 10 0 FEAELO CC(=O)c1ccccc1OCCN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000170944140 327109307 /nfs/dbraw/zinc/10/93/07/327109307.db2.gz BLUGFBPZMIBHCP-UHFFFAOYSA-N 1 2 356.470 2.209 10 0 FEAELO CCc1nnc(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)n1C ZINC000170986286 327110933 /nfs/dbraw/zinc/11/09/33/327110933.db2.gz PZEKSNLNUICSQW-QGZVFWFLSA-N 1 2 357.502 2.100 10 0 FEAELO CCCC(=O)N[C@H]1CCCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000171002431 327111825 /nfs/dbraw/zinc/11/18/25/327111825.db2.gz OCKMRJVSQKOIKP-INIZCTEOSA-N 1 2 371.485 2.435 10 0 FEAELO Cc1nc(C[C@H]2CCC[N@@H+](Cc3nc4ccccc4c(=O)n3C)C2)no1 ZINC000171405869 327137314 /nfs/dbraw/zinc/13/73/14/327137314.db2.gz QANDMMLJHKQLEY-CQSZACIVSA-N 1 2 353.426 2.080 10 0 FEAELO Cc1nc(C[C@H]2CCC[N@H+](Cc3nc4ccccc4c(=O)n3C)C2)no1 ZINC000171405869 327137316 /nfs/dbraw/zinc/13/73/16/327137316.db2.gz QANDMMLJHKQLEY-CQSZACIVSA-N 1 2 353.426 2.080 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NCC1CCCCC1 ZINC000171674487 327154314 /nfs/dbraw/zinc/15/43/14/327154314.db2.gz WAQNSWYFANGBGS-CQSZACIVSA-N 1 2 355.504 2.464 10 0 FEAELO O=C(N[C@H](Cc1ccccc1)C(=O)NCCc1[nH]cc[nH+]1)c1cccs1 ZINC000171758182 327159682 /nfs/dbraw/zinc/15/96/82/327159682.db2.gz WHAYECKLNXAGOV-OAHLLOKOSA-N 1 2 368.462 2.171 10 0 FEAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)Nc1nc2ccccc2s1 ZINC000171929115 327170755 /nfs/dbraw/zinc/17/07/55/327170755.db2.gz WSLGKDMDGKAPDH-UHFFFAOYSA-N 1 2 368.466 2.237 10 0 FEAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)Nc1nc2ccccc2s1 ZINC000171929115 327170756 /nfs/dbraw/zinc/17/07/56/327170756.db2.gz WSLGKDMDGKAPDH-UHFFFAOYSA-N 1 2 368.466 2.237 10 0 FEAELO CC(C)[C@@H](C)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000172500766 327204118 /nfs/dbraw/zinc/20/41/18/327204118.db2.gz BHOSDQUARIUEHD-ZWKOTPCHSA-N 1 2 363.502 2.046 10 0 FEAELO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(-c2ccccc2Cl)n1 ZINC000172749537 327216698 /nfs/dbraw/zinc/21/66/98/327216698.db2.gz VCZSUQRYTNONSG-AWEZNQCLSA-N 1 2 374.872 2.287 10 0 FEAELO O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750711 327217046 /nfs/dbraw/zinc/21/70/46/327217046.db2.gz JVSJAOAYFLALBS-GFCCVEGCSA-N 1 2 359.253 2.305 10 0 FEAELO O=C(c1cccnc1SC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172768032 327217836 /nfs/dbraw/zinc/21/78/36/327217836.db2.gz SONRVXJBQXHXEO-NSHDSACASA-N 1 2 361.389 2.240 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CSc2ccccc2)nc[nH+]1 ZINC000173408454 327254239 /nfs/dbraw/zinc/25/42/39/327254239.db2.gz XOBKHWSGPYKZHJ-CQSZACIVSA-N 1 2 357.483 2.396 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CSc2ccccc2)[nH+]cn1 ZINC000173408454 327254240 /nfs/dbraw/zinc/25/42/40/327254240.db2.gz XOBKHWSGPYKZHJ-CQSZACIVSA-N 1 2 357.483 2.396 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc3[nH]ccc3c2)nc[nH+]1 ZINC000173423065 327255552 /nfs/dbraw/zinc/25/55/52/327255552.db2.gz APUNVZDJQUWMSQ-HNNXBMFYSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc3[nH]ccc3c2)[nH+]cn1 ZINC000173423065 327255553 /nfs/dbraw/zinc/25/55/53/327255553.db2.gz APUNVZDJQUWMSQ-HNNXBMFYSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2ccc(C)cc2C)nc[nH+]1 ZINC000173434872 327256746 /nfs/dbraw/zinc/25/67/46/327256746.db2.gz VQWUDCPWHZMZHM-INIZCTEOSA-N 1 2 369.469 2.299 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2ccc(C)cc2C)[nH+]cn1 ZINC000173434872 327256747 /nfs/dbraw/zinc/25/67/47/327256747.db2.gz VQWUDCPWHZMZHM-INIZCTEOSA-N 1 2 369.469 2.299 10 0 FEAELO CC[C@H](OC1CCCC1)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173433291 327256755 /nfs/dbraw/zinc/25/67/55/327256755.db2.gz YLLJCXLHUBLLPY-ZBFHGGJFSA-N 1 2 361.490 2.341 10 0 FEAELO CC[C@H](OC1CCCC1)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173433291 327256756 /nfs/dbraw/zinc/25/67/56/327256756.db2.gz YLLJCXLHUBLLPY-ZBFHGGJFSA-N 1 2 361.490 2.341 10 0 FEAELO Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173804947 327285430 /nfs/dbraw/zinc/28/54/30/327285430.db2.gz QMJUMUSLJNIETQ-KDOFPFPSSA-N 1 2 371.485 2.113 10 0 FEAELO CCn1cc(Br)cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173865175 327289830 /nfs/dbraw/zinc/28/98/30/327289830.db2.gz NFJHYVJWUQKWII-WFASDCNBSA-N 1 2 370.291 2.063 10 0 FEAELO C/C=C/c1ccc(OCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000173872997 327290331 /nfs/dbraw/zinc/29/03/31/327290331.db2.gz LZMUSDYDIHMMKI-HRMTXBTBSA-N 1 2 374.481 2.286 10 0 FEAELO CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000173883545 327291163 /nfs/dbraw/zinc/29/11/63/327291163.db2.gz NRYMUYCWRQYPIW-HNNXBMFYSA-N 1 2 360.462 2.306 10 0 FEAELO CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000173883545 327291164 /nfs/dbraw/zinc/29/11/64/327291164.db2.gz NRYMUYCWRQYPIW-HNNXBMFYSA-N 1 2 360.462 2.306 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000173940643 327296202 /nfs/dbraw/zinc/29/62/02/327296202.db2.gz OZRHPKBIWBWQHJ-UHFFFAOYSA-N 1 2 359.810 2.249 10 0 FEAELO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174491116 327330466 /nfs/dbraw/zinc/33/04/66/327330466.db2.gz IYFCKNLOHUJARE-BZUAXINKSA-N 1 2 350.409 2.392 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nc(C)c(C)s2)nc[nH+]1 ZINC000174619606 327338989 /nfs/dbraw/zinc/33/89/89/327338989.db2.gz YYIPQAAEBCESKN-GFCCVEGCSA-N 1 2 361.475 2.382 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nc(C)c(C)s2)[nH+]cn1 ZINC000174619606 327338990 /nfs/dbraw/zinc/33/89/90/327338990.db2.gz YYIPQAAEBCESKN-GFCCVEGCSA-N 1 2 361.475 2.382 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)cn1 ZINC000174655720 327341790 /nfs/dbraw/zinc/34/17/90/327341790.db2.gz ITDIZXNLEYUWPJ-LJQANCHMSA-N 1 2 356.470 2.061 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)cn1 ZINC000174655720 327341791 /nfs/dbraw/zinc/34/17/91/327341791.db2.gz ITDIZXNLEYUWPJ-LJQANCHMSA-N 1 2 356.470 2.061 10 0 FEAELO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000174996256 327366385 /nfs/dbraw/zinc/36/63/85/327366385.db2.gz FGESLBNSXUIDGZ-UHFFFAOYSA-N 1 2 360.285 2.455 10 0 FEAELO COCCCN(C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174993546 327366496 /nfs/dbraw/zinc/36/64/96/327366496.db2.gz MVVUXUSYSDMUOC-HNNXBMFYSA-N 1 2 355.504 2.108 10 0 FEAELO C[C@H](CNC(=O)NC[C@H](C)Oc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000175008068 327367610 /nfs/dbraw/zinc/36/76/10/327367610.db2.gz IMTBQKYTNXHQHU-KGLIPLIRSA-N 1 2 355.866 2.127 10 0 FEAELO CCNC(=O)c1ccc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000175042555 327370310 /nfs/dbraw/zinc/37/03/10/327370310.db2.gz FSEBJKLFKSEGEZ-MRXNPFEDSA-N 1 2 374.510 2.403 10 0 FEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1 ZINC000175070066 327372105 /nfs/dbraw/zinc/37/21/05/327372105.db2.gz AIKDVYMHMGUKIX-CQSZACIVSA-N 1 2 371.441 2.375 10 0 FEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(-c2nc(C3CC3)no2)c1 ZINC000175070066 327372106 /nfs/dbraw/zinc/37/21/06/327372106.db2.gz AIKDVYMHMGUKIX-CQSZACIVSA-N 1 2 371.441 2.375 10 0 FEAELO Cc1nnc(NC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000175357489 327388939 /nfs/dbraw/zinc/38/89/39/327388939.db2.gz UXKJUNNIKNSEIW-LBPRGKRZSA-N 1 2 367.500 2.445 10 0 FEAELO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3[nH+]ccn3CC(C)C)C2)n1 ZINC000175473368 327394797 /nfs/dbraw/zinc/39/47/97/327394797.db2.gz KIYWVTZLRDFFSQ-QGZVFWFLSA-N 1 2 373.505 2.369 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000176820055 327477873 /nfs/dbraw/zinc/47/78/73/327477873.db2.gz LWWAGFOLXMPDPP-QHCPKHFHSA-N 1 2 369.512 2.163 10 0 FEAELO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000178085608 327564341 /nfs/dbraw/zinc/56/43/41/327564341.db2.gz NZYUDCRCXYZWSX-IEBWSBKVSA-N 1 2 354.454 2.341 10 0 FEAELO C[NH+](C)C[C@H](NC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccccc1 ZINC000178383898 327581743 /nfs/dbraw/zinc/58/17/43/327581743.db2.gz CHZKICSZPKKGHH-KRWDZBQOSA-N 1 2 373.478 2.441 10 0 FEAELO O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262890091 328897868 /nfs/dbraw/zinc/89/78/68/328897868.db2.gz CMTHMNMOFRGXCW-AWEZNQCLSA-N 1 2 371.815 2.012 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnc3ccccc32)nc[nH+]1 ZINC000173414541 546281228 /nfs/dbraw/zinc/28/12/28/546281228.db2.gz ZXMPFKQDXUECOJ-CQSZACIVSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnc3ccccc32)[nH+]cn1 ZINC000173414541 546281235 /nfs/dbraw/zinc/28/12/35/546281235.db2.gz ZXMPFKQDXUECOJ-CQSZACIVSA-N 1 2 362.437 2.465 10 0 FEAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)Nc1ccccc1F ZINC000173630400 546284718 /nfs/dbraw/zinc/28/47/18/546284718.db2.gz MCFNHDQPKSERBO-NWDGAFQWSA-N 1 2 374.420 2.141 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000176507026 546455273 /nfs/dbraw/zinc/45/52/73/546455273.db2.gz WYSMVQDWYPPLLU-DNVCBOLYSA-N 1 2 367.449 2.038 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cccc(C(N)=O)c2)c2cccs2)CCO1 ZINC000176579093 546464098 /nfs/dbraw/zinc/46/40/98/546464098.db2.gz XCYSVXORRXEVPH-CJNGLKHVSA-N 1 2 373.478 2.039 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cccc(C(N)=O)c2)c2cccs2)CCO1 ZINC000176579093 546464100 /nfs/dbraw/zinc/46/41/00/546464100.db2.gz XCYSVXORRXEVPH-CJNGLKHVSA-N 1 2 373.478 2.039 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000176888070 546501066 /nfs/dbraw/zinc/50/10/66/546501066.db2.gz FEBNTAKJCQBYGV-SGANQWHYSA-N 1 2 361.467 2.353 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000176907459 546505778 /nfs/dbraw/zinc/50/57/78/546505778.db2.gz LRPOLZQLROBTQT-SNVBAGLBSA-N 1 2 357.382 2.123 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000176911144 546507216 /nfs/dbraw/zinc/50/72/16/546507216.db2.gz QNEIQFNNFPUMAD-UHFFFAOYSA-N 1 2 373.381 2.058 10 0 FEAELO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000177035766 546529304 /nfs/dbraw/zinc/52/93/04/546529304.db2.gz BZDADWQBXWGSBN-AWEZNQCLSA-N 1 2 350.419 2.267 10 0 FEAELO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000177035766 546529307 /nfs/dbraw/zinc/52/93/07/546529307.db2.gz BZDADWQBXWGSBN-AWEZNQCLSA-N 1 2 350.419 2.267 10 0 FEAELO CC[C@H](O)CN1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000177083484 546541474 /nfs/dbraw/zinc/54/14/74/546541474.db2.gz GCHDONKCUXWLOJ-INIZCTEOSA-N 1 2 373.419 2.423 10 0 FEAELO C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177217942 546572198 /nfs/dbraw/zinc/57/21/98/546572198.db2.gz RSKLUGOXUVNYPI-COXVUDFISA-N 1 2 369.303 2.135 10 0 FEAELO C[C@@H]1CN(C(=O)Nc2cnc(-c3ccccc3)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000177233136 546575892 /nfs/dbraw/zinc/57/58/92/546575892.db2.gz CJEOVJRSEIHDNX-CRAIPNDOSA-N 1 2 367.453 2.328 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000177255348 546580541 /nfs/dbraw/zinc/58/05/41/546580541.db2.gz ZEPIGSMPIWNDDA-LRDDRELGSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177255348 546580544 /nfs/dbraw/zinc/58/05/44/546580544.db2.gz ZEPIGSMPIWNDDA-LRDDRELGSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177255348 546580548 /nfs/dbraw/zinc/58/05/48/546580548.db2.gz ZEPIGSMPIWNDDA-LRDDRELGSA-N 1 2 355.841 2.070 10 0 FEAELO CSc1ccccc1NC(=O)[C@H](C)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177279305 546585970 /nfs/dbraw/zinc/58/59/70/546585970.db2.gz CVWIPBVQWOZRNV-ZOBUZTSGSA-N 1 2 363.527 2.388 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCCCN2CCc3ccccc32)[nH+]cn1 ZINC000178328778 546775869 /nfs/dbraw/zinc/77/58/69/546775869.db2.gz PEZLTBKAOYPCEB-QGZVFWFLSA-N 1 2 353.470 2.302 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCCCN2CCc3ccccc32)nc[nH+]1 ZINC000178328778 546775875 /nfs/dbraw/zinc/77/58/75/546775875.db2.gz PEZLTBKAOYPCEB-QGZVFWFLSA-N 1 2 353.470 2.302 10 0 FEAELO CCOCCN(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000179522433 546971346 /nfs/dbraw/zinc/97/13/46/546971346.db2.gz VKVQGWKGKPXKCG-HUUCEWRRSA-N 1 2 355.504 2.188 10 0 FEAELO CCOCCN(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000179522433 546971348 /nfs/dbraw/zinc/97/13/48/546971348.db2.gz VKVQGWKGKPXKCG-HUUCEWRRSA-N 1 2 355.504 2.188 10 0 FEAELO CCn1nc(C)c(NC(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1C ZINC000179538182 546973417 /nfs/dbraw/zinc/97/34/17/546973417.db2.gz IAGLXZYCKGXLQN-CQSZACIVSA-N 1 2 372.477 2.142 10 0 FEAELO CCn1nc(C)c(NC(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c1C ZINC000179538182 546973421 /nfs/dbraw/zinc/97/34/21/546973421.db2.gz IAGLXZYCKGXLQN-CQSZACIVSA-N 1 2 372.477 2.142 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C[C@@H]1C ZINC000179928521 547029829 /nfs/dbraw/zinc/02/98/29/547029829.db2.gz CNKSAAHMFPOKSS-INIZCTEOSA-N 1 2 370.515 2.205 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C[C@@H]1C ZINC000179928521 547029832 /nfs/dbraw/zinc/02/98/32/547029832.db2.gz CNKSAAHMFPOKSS-INIZCTEOSA-N 1 2 370.515 2.205 10 0 FEAELO O=C(NCCCn1cc[nH+]c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179924187 547030134 /nfs/dbraw/zinc/03/01/34/547030134.db2.gz FPRZNNIJHLHJKL-OAHLLOKOSA-N 1 2 357.462 2.138 10 0 FEAELO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)nn1-c1ccccc1Cl ZINC000180123012 547055658 /nfs/dbraw/zinc/05/56/58/547055658.db2.gz HUTRPLLLSONIMK-ZDUSSCGKSA-N 1 2 363.849 2.286 10 0 FEAELO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)nn1-c1ccccc1Cl ZINC000180123012 547055663 /nfs/dbraw/zinc/05/56/63/547055663.db2.gz HUTRPLLLSONIMK-ZDUSSCGKSA-N 1 2 363.849 2.286 10 0 FEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000183060630 547594581 /nfs/dbraw/zinc/59/45/81/547594581.db2.gz CPAJHGVPXNVVOG-GOSISDBHSA-N 1 2 351.458 2.409 10 0 FEAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000183060630 547594583 /nfs/dbraw/zinc/59/45/83/547594583.db2.gz CPAJHGVPXNVVOG-GOSISDBHSA-N 1 2 351.458 2.409 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000184940611 547904280 /nfs/dbraw/zinc/90/42/80/547904280.db2.gz RIMOBDZWENYPQN-CYBMUJFWSA-N 1 2 351.248 2.378 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000184940611 547904282 /nfs/dbraw/zinc/90/42/82/547904282.db2.gz RIMOBDZWENYPQN-CYBMUJFWSA-N 1 2 351.248 2.378 10 0 FEAELO CCO[C@H]1C[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C12CCOCC2 ZINC000185507921 547995541 /nfs/dbraw/zinc/99/55/41/547995541.db2.gz MGKFVHFWUDZBRN-IRXDYDNUSA-N 1 2 372.469 2.150 10 0 FEAELO O=C(NC1C[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000185936992 548061767 /nfs/dbraw/zinc/06/17/67/548061767.db2.gz ODDCUUMKYJTGGI-CQSZACIVSA-N 1 2 372.387 2.046 10 0 FEAELO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186330510 548120253 /nfs/dbraw/zinc/12/02/53/548120253.db2.gz QDKSTPUGSCDBNF-HXUWFJFHSA-N 1 2 362.470 2.257 10 0 FEAELO CCCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000186330510 548120255 /nfs/dbraw/zinc/12/02/55/548120255.db2.gz QDKSTPUGSCDBNF-HXUWFJFHSA-N 1 2 362.470 2.257 10 0 FEAELO C[C@@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000186333543 548121239 /nfs/dbraw/zinc/12/12/39/548121239.db2.gz HNLJJHYKVOLKAV-RISCZKNCSA-N 1 2 356.348 2.498 10 0 FEAELO O=C(c1nc2cccnc2s1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000193938314 548410091 /nfs/dbraw/zinc/41/00/91/548410091.db2.gz XEMRIXMAWZMKCP-MRXNPFEDSA-N 1 2 368.462 2.183 10 0 FEAELO CC1(C)C(N)=[NH+][C@](C)(c2cc(Br)ccc2F)CS1(=O)=O ZINC000217072993 548679859 /nfs/dbraw/zinc/67/98/59/548679859.db2.gz KLNCEHAORDZYFZ-ZDUSSCGKSA-N 1 2 363.252 2.368 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000245199571 548900492 /nfs/dbraw/zinc/90/04/92/548900492.db2.gz IBQOWKNSWNAUEK-ZBFHGGJFSA-N 1 2 360.458 2.104 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000245199571 548900495 /nfs/dbraw/zinc/90/04/95/548900495.db2.gz IBQOWKNSWNAUEK-ZBFHGGJFSA-N 1 2 360.458 2.104 10 0 FEAELO CCOCC[N@@H+]1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C[C@H]1C ZINC000246083652 549047817 /nfs/dbraw/zinc/04/78/17/549047817.db2.gz HWHGAWFXEQMBHO-OAHLLOKOSA-N 1 2 369.531 2.201 10 0 FEAELO CCOCC[N@H+]1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C[C@H]1C ZINC000246083652 549047820 /nfs/dbraw/zinc/04/78/20/549047820.db2.gz HWHGAWFXEQMBHO-OAHLLOKOSA-N 1 2 369.531 2.201 10 0 FEAELO C[C@@H]1CN(C[C@H](O)c2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000246526997 549152962 /nfs/dbraw/zinc/15/29/62/549152962.db2.gz RSKLUGOXUVNYPI-XYPHTWIQSA-N 1 2 369.303 2.135 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H]2CCCc3occc32)nc[nH+]1 ZINC000246568759 549163636 /nfs/dbraw/zinc/16/36/36/549163636.db2.gz ZICKZQCNBVWSLW-ZFWWWQNUSA-N 1 2 370.457 2.457 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H]2CCCc3occc32)[nH+]cn1 ZINC000246568759 549163638 /nfs/dbraw/zinc/16/36/38/549163638.db2.gz ZICKZQCNBVWSLW-ZFWWWQNUSA-N 1 2 370.457 2.457 10 0 FEAELO C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1N1CCOCC1 ZINC000246580961 549168214 /nfs/dbraw/zinc/16/82/14/549168214.db2.gz OOKYGVWKEFVJJQ-RDTXWAMCSA-N 1 2 361.877 2.073 10 0 FEAELO C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1N1CCOCC1 ZINC000246580961 549168219 /nfs/dbraw/zinc/16/82/19/549168219.db2.gz OOKYGVWKEFVJJQ-RDTXWAMCSA-N 1 2 361.877 2.073 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000247227224 549301923 /nfs/dbraw/zinc/30/19/23/549301923.db2.gz WPKLFLDYQCHLGL-YUFPNPJJSA-N 1 2 350.409 2.247 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3C(C)C)CCO2)[nH]1 ZINC000247257379 549307793 /nfs/dbraw/zinc/30/77/93/549307793.db2.gz ZNCDNDOSBRBWER-CRAIPNDOSA-N 1 2 360.458 2.050 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C(C)C)CCO2)[nH]1 ZINC000247257379 549307795 /nfs/dbraw/zinc/30/77/95/549307795.db2.gz ZNCDNDOSBRBWER-CRAIPNDOSA-N 1 2 360.458 2.050 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000248649375 549476733 /nfs/dbraw/zinc/47/67/33/549476733.db2.gz VODCIQSGULEBGS-RHSMWYFYSA-N 1 2 350.459 2.382 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000248649375 549476735 /nfs/dbraw/zinc/47/67/35/549476735.db2.gz VODCIQSGULEBGS-RHSMWYFYSA-N 1 2 350.459 2.382 10 0 FEAELO OC[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C[C@H]1c1ccsc1 ZINC000249249219 549573426 /nfs/dbraw/zinc/57/34/26/549573426.db2.gz FTYRMARBCAZAEP-ULQDDVLXSA-N 1 2 374.510 2.102 10 0 FEAELO OC[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@H]1c1ccsc1 ZINC000249249219 549573432 /nfs/dbraw/zinc/57/34/32/549573432.db2.gz FTYRMARBCAZAEP-ULQDDVLXSA-N 1 2 374.510 2.102 10 0 FEAELO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262418571 549818310 /nfs/dbraw/zinc/81/83/10/549818310.db2.gz CHTISUZNSRRMHG-QGZVFWFLSA-N 1 2 361.486 2.367 10 0 FEAELO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000262418571 549818311 /nfs/dbraw/zinc/81/83/11/549818311.db2.gz CHTISUZNSRRMHG-QGZVFWFLSA-N 1 2 361.486 2.367 10 0 FEAELO CCc1cccc(C)c1NC(=O)C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262418571 549818313 /nfs/dbraw/zinc/81/83/13/549818313.db2.gz CHTISUZNSRRMHG-QGZVFWFLSA-N 1 2 361.486 2.367 10 0 FEAELO CCc1cccc(C)c1NC(=O)C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000262418571 549818314 /nfs/dbraw/zinc/81/83/14/549818314.db2.gz CHTISUZNSRRMHG-QGZVFWFLSA-N 1 2 361.486 2.367 10 0 FEAELO COc1cccc(OC)c1OC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263000839 549870170 /nfs/dbraw/zinc/87/01/70/549870170.db2.gz OSUKXPLZZKZZGF-ZDUSSCGKSA-N 1 2 370.396 2.071 10 0 FEAELO CCc1cc(NC2CC([N@H+](CC)CC(=O)[O-])C2)nc(-c2ccncc2)[nH+]1 ZINC000263563986 549909037 /nfs/dbraw/zinc/90/90/37/549909037.db2.gz UPYYDURJLZWDSX-UHFFFAOYSA-N 1 2 355.442 2.450 10 0 FEAELO CCc1cc(NC2CC([N@@H+](CC)CC(=O)[O-])C2)nc(-c2ccncc2)[nH+]1 ZINC000263563986 549909040 /nfs/dbraw/zinc/90/90/40/549909040.db2.gz UPYYDURJLZWDSX-UHFFFAOYSA-N 1 2 355.442 2.450 10 0 FEAELO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2c(F)cccc2F)CC(C)(C)O1 ZINC000284529755 551570415 /nfs/dbraw/zinc/57/04/15/551570415.db2.gz KUZZCWWBNJQPGV-CYBMUJFWSA-N 1 2 356.413 2.049 10 0 FEAELO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2c(F)cccc2F)CC(C)(C)O1 ZINC000284529755 551570417 /nfs/dbraw/zinc/57/04/17/551570417.db2.gz KUZZCWWBNJQPGV-CYBMUJFWSA-N 1 2 356.413 2.049 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCN(C(=O)c4cccnc4)CC3)nc[nH+]2)C1 ZINC000301232638 553633847 /nfs/dbraw/zinc/63/38/47/553633847.db2.gz INPNDIFDOVEARD-INIZCTEOSA-N 1 2 366.469 2.070 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCN(C(=O)c4cccnc4)CC3)[nH+]cn2)C1 ZINC000301232638 553633849 /nfs/dbraw/zinc/63/38/49/553633849.db2.gz INPNDIFDOVEARD-INIZCTEOSA-N 1 2 366.469 2.070 10 0 FEAELO C[C@@H]1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000301629001 553667295 /nfs/dbraw/zinc/66/72/95/553667295.db2.gz RVKMZFWVYZRQEA-GDBMZVCRSA-N 1 2 355.463 2.388 10 0 FEAELO C[C@@H]1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000301629001 553667297 /nfs/dbraw/zinc/66/72/97/553667297.db2.gz RVKMZFWVYZRQEA-GDBMZVCRSA-N 1 2 355.463 2.388 10 0 FEAELO Cc1nc(N2CCN(c3nc(-c4ccncc4)nc4c3CCC4)CC2)cc[nH+]1 ZINC000302140182 553706651 /nfs/dbraw/zinc/70/66/51/553706651.db2.gz DJMLSVCZXPZXFG-UHFFFAOYSA-N 1 2 373.464 2.452 10 0 FEAELO Cc1conc1NC(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000328654118 553803064 /nfs/dbraw/zinc/80/30/64/553803064.db2.gz XFARBLDZYSDSTC-ZDUSSCGKSA-N 1 2 361.471 2.958 10 0 FEAELO Cc1conc1NC(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000328654118 553803066 /nfs/dbraw/zinc/80/30/66/553803066.db2.gz XFARBLDZYSDSTC-ZDUSSCGKSA-N 1 2 361.471 2.958 10 0 FEAELO COc1ccc(/C=C(\C)C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000377294075 558308331 /nfs/dbraw/zinc/30/83/31/558308331.db2.gz QLGJYAFOXGWLEX-QSOAKEGCSA-N 1 2 358.417 2.476 10 0 FEAELO Cc1cnc2c(Cl)c(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)nn2c1 ZINC000082096304 670652227 /nfs/dbraw/zinc/65/22/27/670652227.db2.gz VEYJWRFGIAPTPW-LBPRGKRZSA-N 1 2 358.833 2.444 10 0 FEAELO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)C1 ZINC000118333810 671885092 /nfs/dbraw/zinc/88/50/92/671885092.db2.gz GJQWJWHMHWQTNW-LBPRGKRZSA-N 1 2 358.891 2.348 10 0 FEAELO CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC)ccc2Cl)C1 ZINC000118333810 671885097 /nfs/dbraw/zinc/88/50/97/671885097.db2.gz GJQWJWHMHWQTNW-LBPRGKRZSA-N 1 2 358.891 2.348 10 0 FEAELO CCc1nnc(C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C ZINC000171707370 672334793 /nfs/dbraw/zinc/33/47/93/672334793.db2.gz BMXCTADGGCDVQX-UHFFFAOYSA-N 1 2 351.495 2.456 10 0 FEAELO Cc1noc(Cl)c1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171814267 672336382 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Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)o1 ZINC000052651124 540479792 /nfs/dbraw/zinc/47/97/92/540479792.db2.gz RXZNIFAPCYSSDU-OAHLLOKOSA-N 1 2 371.437 2.236 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCCO2)[NH+]2CCOCC2)cc1 ZINC000057012282 540762174 /nfs/dbraw/zinc/76/21/74/540762174.db2.gz PEIRYNGQULSONU-NEWSRXKRSA-N 1 2 361.486 2.235 10 0 FEAELO CC[C@@H]1c2cccn2CCN1C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067643557 541494158 /nfs/dbraw/zinc/49/41/58/541494158.db2.gz VQKHKKIKOILTMW-QGZVFWFLSA-N 1 2 358.442 2.040 10 0 FEAELO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000070693773 541737402 /nfs/dbraw/zinc/73/74/02/541737402.db2.gz WGHLNNBJRBLYJS-ROUUACIJSA-N 1 2 359.470 2.407 10 0 FEAELO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000070693773 541737405 /nfs/dbraw/zinc/73/74/05/541737405.db2.gz WGHLNNBJRBLYJS-ROUUACIJSA-N 1 2 359.470 2.407 10 0 FEAELO CCCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000072130778 541785082 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C[C@@H](C(=O)N1CCS[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111608666 543408572 /nfs/dbraw/zinc/40/85/72/543408572.db2.gz HPSHPKRCCXEDCA-GJZGRUSLSA-N 1 2 351.491 2.300 10 0 FEAELO CC(C)C[C@H](C)Oc1cc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)ccn1 ZINC000111493173 543404216 /nfs/dbraw/zinc/40/42/16/543404216.db2.gz MLYSHAIRYDQYNJ-DOTOQJQBSA-N 1 2 364.490 2.025 10 0 FEAELO CC(C)C[C@H](C)Oc1cc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccn1 ZINC000111493173 543404218 /nfs/dbraw/zinc/40/42/18/543404218.db2.gz MLYSHAIRYDQYNJ-DOTOQJQBSA-N 1 2 364.490 2.025 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc3c(c1)C(=O)NC3=O)C2 ZINC000112712506 543459462 /nfs/dbraw/zinc/45/94/62/543459462.db2.gz CDRIFYCRIQWZKP-UHFFFAOYSA-N 1 2 367.409 2.017 10 0 FEAELO C[C@H](CNC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)[NH+]1CCOCC1 ZINC000114926796 543545732 /nfs/dbraw/zinc/54/57/32/543545732.db2.gz AKWROIXPPWKIJQ-OAHLLOKOSA-N 1 2 371.485 2.173 10 0 FEAELO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H](O)CN2CCCC2=O)n1 ZINC000127390633 543990439 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FEAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131595646 544197295 /nfs/dbraw/zinc/19/72/95/544197295.db2.gz PNFPXKYODRHKIP-ZDUSSCGKSA-N 1 2 356.488 2.099 10 0 FEAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131595646 544197296 /nfs/dbraw/zinc/19/72/96/544197296.db2.gz PNFPXKYODRHKIP-ZDUSSCGKSA-N 1 2 356.488 2.099 10 0 FEAELO Cn1nccc1C1CC[NH+](CC(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000136943169 544381241 /nfs/dbraw/zinc/38/12/41/544381241.db2.gz NVXCMCCJXJPCTQ-UHFFFAOYSA-N 1 2 362.503 2.387 10 0 FEAELO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1NC(=O)C(C)(C)C ZINC000151293178 544525534 /nfs/dbraw/zinc/52/55/34/544525534.db2.gz GQOJSJSXYNULSU-HNNXBMFYSA-N 1 2 362.474 2.432 10 0 FEAELO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1NC(=O)C(C)(C)C ZINC000151293178 544525536 /nfs/dbraw/zinc/52/55/36/544525536.db2.gz GQOJSJSXYNULSU-HNNXBMFYSA-N 1 2 362.474 2.432 10 0 FEAELO COc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000153770925 544820274 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000176992181 672379000 /nfs/dbraw/zinc/37/90/00/672379000.db2.gz HXLFINCLYJHWEN-JTQLQIEISA-N 1 2 366.455 2.301 10 0 FEAELO O=C(c1ccc(OC(F)(F)Cl)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000192899401 672705943 /nfs/dbraw/zinc/70/59/43/672705943.db2.gz AAIXJGTVLKHXMX-CYBMUJFWSA-N 1 2 360.788 2.401 10 0 FEAELO CCCOC(=O)C(C(=O)OCCC)=C1S[C@@H]2[C@H](S1)N(C)CC[N@H+]2C ZINC000022942079 210235728 /nfs/dbraw/zinc/23/57/28/210235728.db2.gz UOIDEMOWEJIQJA-BETUJISGSA-N 1 2 374.528 2.114 10 0 FEAELO CCCOC(=O)C(C(=O)OCCC)=C1S[C@@H]2[C@H](S1)N(C)CC[N@@H+]2C ZINC000022942079 210235732 /nfs/dbraw/zinc/23/57/32/210235732.db2.gz UOIDEMOWEJIQJA-BETUJISGSA-N 1 2 374.528 2.114 10 0 FEAELO CCCOC(=O)C(C(=O)OCCC)=C1S[C@@H]2[C@H](S1)[N@H+](C)CCN2C ZINC000022942079 210235736 /nfs/dbraw/zinc/23/57/36/210235736.db2.gz UOIDEMOWEJIQJA-BETUJISGSA-N 1 2 374.528 2.114 10 0 FEAELO CCCOC(=O)C(C(=O)OCCC)=C1S[C@@H]2[C@H](S1)[N@@H+](C)CCN2C ZINC000022942079 210235740 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CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000077588968 542401000 /nfs/dbraw/zinc/40/10/00/542401000.db2.gz NCNWEFAHZTZKDC-VQIMIIECSA-N 1 2 365.433 2.072 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000077588968 542401002 /nfs/dbraw/zinc/40/10/02/542401002.db2.gz NCNWEFAHZTZKDC-VQIMIIECSA-N 1 2 365.433 2.072 10 0 FEAELO CCCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000073685726 132377076 /nfs/dbraw/zinc/37/70/76/132377076.db2.gz ZTWVBZODTOHGBV-UHFFFAOYSA-N 1 2 358.417 2.442 10 0 FEAELO Nc1c(-n2cc[nH+]c2)ncnc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000040728515 136120411 /nfs/dbraw/zinc/12/04/11/136120411.db2.gz GIQLECLJEKQZJG-UHFFFAOYSA-N 1 2 355.833 2.225 10 0 FEAELO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104785272 543143818 /nfs/dbraw/zinc/14/38/18/543143818.db2.gz QNUHGUZZZIHXEC-APWZRJJASA-N 1 2 363.502 2.425 10 0 FEAELO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104785272 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CC(=O)Nc1cccc(OCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177496926 327526641 /nfs/dbraw/zinc/52/66/41/327526641.db2.gz KORIYJIOLZHUHV-QGZVFWFLSA-N 1 2 371.441 2.095 10 0 FEAELO COCC[C@H](C)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178631250 327596901 /nfs/dbraw/zinc/59/69/01/327596901.db2.gz XBOGTWFRDBZRKH-DZGCQCFKSA-N 1 2 355.504 2.154 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000249243212 328761521 /nfs/dbraw/zinc/76/15/21/328761521.db2.gz RYPRHGXJUUFETJ-BMFZPTHFSA-N 1 2 354.410 2.214 10 0 FEAELO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262896490 328898364 /nfs/dbraw/zinc/89/83/64/328898364.db2.gz DDAHCGMBDLRMEQ-LLVKDONJSA-N 1 2 366.195 2.388 10 0 FEAELO COc1cccc(OC)c1OC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263000837 328907404 /nfs/dbraw/zinc/90/74/04/328907404.db2.gz OSUKXPLZZKZZGF-CYBMUJFWSA-N 1 2 370.396 2.071 10 0 FEAELO O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263208319 328925379 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Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3C)CCO2)c1 ZINC000247568472 549359760 /nfs/dbraw/zinc/35/97/60/549359760.db2.gz GWJCCKGURGOAFP-AZUAARDMSA-N 1 2 370.497 2.248 10 0 FEAELO C[C@@H](NC(=O)NCC1(CO)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159294282 545940503 /nfs/dbraw/zinc/94/05/03/545940503.db2.gz RLPDNXNRGJERTB-OAHLLOKOSA-N 1 2 358.442 2.022 10 0 FEAELO c1oc(CN2CCN(CCC[NH+]3CCOCC3)CC2)nc1-c1ccccc1 ZINC000173688403 546285408 /nfs/dbraw/zinc/28/54/08/546285408.db2.gz XLTWNPCZUMHUAB-UHFFFAOYSA-N 1 2 370.497 2.182 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000174614845 546300389 /nfs/dbraw/zinc/30/03/89/546300389.db2.gz MFNCMXXOWUFFCY-CZUORRHYSA-N 1 2 360.433 2.133 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC[N@H+]1C[C@@H](C)O ZINC000174614845 546300390 /nfs/dbraw/zinc/30/03/90/546300390.db2.gz MFNCMXXOWUFFCY-CZUORRHYSA-N 1 2 360.433 2.133 10 0 FEAELO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCn4ncnc43)cn2c1 ZINC000175715954 546339112 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CCOc1cc(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)cc(Cl)c1O ZINC000186817202 548199547 /nfs/dbraw/zinc/19/95/47/548199547.db2.gz FTQKBWSJURAWIO-LBPRGKRZSA-N 1 2 356.850 2.237 10 0 FEAELO COCc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)sc2cccc(F)c21 ZINC000194628732 548507848 /nfs/dbraw/zinc/50/78/48/548507848.db2.gz AXVBRYGJTPZZMU-NSHDSACASA-N 1 2 352.431 2.247 10 0 FEAELO COCc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)sc2cccc(F)c21 ZINC000194628732 548507851 /nfs/dbraw/zinc/50/78/51/548507851.db2.gz AXVBRYGJTPZZMU-NSHDSACASA-N 1 2 352.431 2.247 10 0 FEAELO C[C@@H](CNC(=O)NCc1ccc(Oc2ccccc2)nc1)[NH+]1CCOCC1 ZINC000195293061 548614615 /nfs/dbraw/zinc/61/46/15/548614615.db2.gz RBIGMUYOGOKOIB-INIZCTEOSA-N 1 2 370.453 2.394 10 0 FEAELO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)cc1OC ZINC000195505535 548651588 /nfs/dbraw/zinc/65/15/88/548651588.db2.gz WZTNPSNYSPLVFS-CQSZACIVSA-N 1 2 372.469 2.311 10 0 FEAELO CCOc1ccc(OCCNC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195505821 548652102 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FEAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120756070 326285246 /nfs/dbraw/zinc/28/52/46/326285246.db2.gz GLQMEVWZBPMQTQ-CABCVRRESA-N 1 2 371.489 2.073 10 0 FEAELO CCOC(=O)C[C@H](C)CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000120774396 326287080 /nfs/dbraw/zinc/28/70/80/326287080.db2.gz DTKJDMFTSSMRPS-ZDUSSCGKSA-N 1 2 350.463 2.201 10 0 FEAELO CCOC(=O)CC[C@H](C)NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000121153865 326317511 /nfs/dbraw/zinc/31/75/11/326317511.db2.gz PLZDOWPXTATUEM-ZDUSSCGKSA-N 1 2 350.463 2.343 10 0 FEAELO O=c1c2ccccc2ncn1CC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121350916 326331757 /nfs/dbraw/zinc/33/17/57/326331757.db2.gz HQHYHKHUCSJZAX-AUUYWEPGSA-N 1 2 371.387 2.483 10 0 FEAELO O=c1c2ccccc2ncn1CC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121350916 326331759 /nfs/dbraw/zinc/33/17/59/326331759.db2.gz HQHYHKHUCSJZAX-AUUYWEPGSA-N 1 2 371.387 2.483 10 0 FEAELO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122190083 326387414 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Cc1cc(Cl)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1Cl ZINC000163383109 327050322 /nfs/dbraw/zinc/05/03/22/327050322.db2.gz QOTOLGCRFLAALW-LLVKDONJSA-N 1 2 374.268 2.077 10 0 FEAELO CCc1nnc(CN(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)n1C ZINC000170986283 327111010 /nfs/dbraw/zinc/11/10/10/327111010.db2.gz PZEKSNLNUICSQW-KRWDZBQOSA-N 1 2 357.502 2.100 10 0 FEAELO Cc1noc([C@H](C)N2CCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC2)n1 ZINC000170999789 327111571 /nfs/dbraw/zinc/11/15/71/327111571.db2.gz YUKPCXBTMDMYOZ-GJZGRUSLSA-N 1 2 371.489 2.288 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1 ZINC000171407278 327137499 /nfs/dbraw/zinc/13/74/99/327137499.db2.gz LRGNMIFLIFBOSL-HNNXBMFYSA-N 1 2 356.426 2.474 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1 ZINC000171407278 327137500 /nfs/dbraw/zinc/13/75/00/327137500.db2.gz LRGNMIFLIFBOSL-HNNXBMFYSA-N 1 2 356.426 2.474 10 0 FEAELO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CNC(=O)C1 ZINC000171490123 327142510 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C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172769060 327217935 /nfs/dbraw/zinc/21/79/35/327217935.db2.gz LBGHRSYOLVYUCJ-JSGCOSHPSA-N 1 2 356.825 2.180 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cnc(-c3ccncc3)s2)C[C@H]1C ZINC000172933811 327226333 /nfs/dbraw/zinc/22/63/33/327226333.db2.gz YCJXOAHCEVVFIU-CQSZACIVSA-N 1 2 360.483 2.388 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cnc(-c3ccncc3)s2)C[C@H]1C ZINC000172933811 327226334 /nfs/dbraw/zinc/22/63/34/327226334.db2.gz YCJXOAHCEVVFIU-CQSZACIVSA-N 1 2 360.483 2.388 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccc(O)cc2)nc[nH+]1 ZINC000173420980 327255334 /nfs/dbraw/zinc/25/53/34/327255334.db2.gz MGYDFNJDMLOPIR-HNNXBMFYSA-N 1 2 370.457 2.034 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccc(O)cc2)[nH+]cn1 ZINC000173420980 327255335 /nfs/dbraw/zinc/25/53/35/327255335.db2.gz MGYDFNJDMLOPIR-HNNXBMFYSA-N 1 2 370.457 2.034 10 0 FEAELO COc1ccc2cc(CNC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)ccc2c1 ZINC000173767793 327282658 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CO[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000175002708 327367213 /nfs/dbraw/zinc/36/72/13/327367213.db2.gz CITKAKZXJWKPKK-XJKSGUPXSA-N 1 2 355.866 2.047 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)N2CCSCC2)c2cccs2)CCO1 ZINC000175027781 327369067 /nfs/dbraw/zinc/36/90/67/327369067.db2.gz RUQRZGLJYWOBCJ-KBPBESRZSA-N 1 2 355.529 2.268 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)N2CCSCC2)c2cccs2)CCO1 ZINC000175027781 327369069 /nfs/dbraw/zinc/36/90/69/327369069.db2.gz RUQRZGLJYWOBCJ-KBPBESRZSA-N 1 2 355.529 2.268 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)Nc2nncs2)c2cccs2)CCO1 ZINC000175052978 327371204 /nfs/dbraw/zinc/37/12/04/327371204.db2.gz SELMVSLXUOUSPI-MNOVXSKESA-N 1 2 353.473 2.183 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)Nc2nncs2)c2cccs2)CCO1 ZINC000175052978 327371205 /nfs/dbraw/zinc/37/12/05/327371205.db2.gz SELMVSLXUOUSPI-MNOVXSKESA-N 1 2 353.473 2.183 10 0 FEAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000175132979 327375914 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C[C@@H]1CCC[C@@H]1CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000249013776 328751664 /nfs/dbraw/zinc/75/16/64/328751664.db2.gz PCVQQFPZZTYRTF-GUDVDZBRSA-N 1 2 360.498 2.397 10 0 FEAELO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)n2)c1 ZINC000261936142 328830450 /nfs/dbraw/zinc/83/04/50/328830450.db2.gz MHGJTVWCTTYKST-BMIGLBTASA-N 1 2 363.439 2.143 10 0 FEAELO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cc(F)cc(Cl)c1O ZINC000262834930 328893165 /nfs/dbraw/zinc/89/31/65/328893165.db2.gz SEWQQLQCGOUMDK-UHFFFAOYSA-N 1 2 353.785 2.033 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2ccccc2-n2cccn2)[nH+]cn1 ZINC000264721484 329053171 /nfs/dbraw/zinc/05/31/71/329053171.db2.gz VJICVAZVQAMEBY-MRXNPFEDSA-N 1 2 350.426 2.236 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2ccccc2-n2cccn2)nc[nH+]1 ZINC000264721484 329053173 /nfs/dbraw/zinc/05/31/73/329053173.db2.gz VJICVAZVQAMEBY-MRXNPFEDSA-N 1 2 350.426 2.236 10 0 FEAELO CC(C)[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)[nH+]c(N)n1 ZINC000071317573 535264793 /nfs/dbraw/zinc/26/47/93/535264793.db2.gz GMHWZMRUVIRLHT-HNNXBMFYSA-N 1 2 353.430 2.046 10 0 FEAELO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1F ZINC000157543956 545752897 /nfs/dbraw/zinc/75/28/97/545752897.db2.gz KMZXNYSVLQLEII-HNNXBMFYSA-N 1 2 373.432 2.258 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccc(OC(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000157997267 545809844 /nfs/dbraw/zinc/80/98/44/545809844.db2.gz POQHCEJSKHDFPA-DOMZBBRYSA-N 1 2 358.360 2.378 10 0 FEAELO Cn1ccnc1-c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173901424 546287931 /nfs/dbraw/zinc/28/79/31/546287931.db2.gz IEPQTUBUGFYIPC-QGZVFWFLSA-N 1 2 355.442 2.026 10 0 FEAELO Cc1cnc(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)s1 ZINC000176064156 546400142 /nfs/dbraw/zinc/40/01/42/546400142.db2.gz MJTJYDQKKVHJKG-UHFFFAOYSA-N 1 2 351.501 2.244 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000176907901 546505747 /nfs/dbraw/zinc/50/57/47/546505747.db2.gz FFSUPLLBUVNYDU-LBPRGKRZSA-N 1 2 353.419 2.293 10 0 FEAELO Cc1ccc2nc(NC(=O)CN3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)sc2c1 ZINC000177240990 546576951 /nfs/dbraw/zinc/57/69/51/546576951.db2.gz SXLPQTOZCDLFOD-GOEBONIOSA-N 1 2 374.510 2.196 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)sc2c1 ZINC000177240990 546576956 /nfs/dbraw/zinc/57/69/56/546576956.db2.gz SXLPQTOZCDLFOD-GOEBONIOSA-N 1 2 374.510 2.196 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)sc2c1 ZINC000177240990 546576959 /nfs/dbraw/zinc/57/69/59/546576959.db2.gz SXLPQTOZCDLFOD-GOEBONIOSA-N 1 2 374.510 2.196 10 0 FEAELO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nnc(C(C)C)n3C)C2)nc1 ZINC000177737974 546677178 /nfs/dbraw/zinc/67/71/78/546677178.db2.gz KJCHPCXZDCWSSC-HNNXBMFYSA-N 1 2 356.474 2.493 10 0 FEAELO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nnc(C(C)C)n3C)C2)nc1 ZINC000177737974 546677182 /nfs/dbraw/zinc/67/71/82/546677182.db2.gz KJCHPCXZDCWSSC-HNNXBMFYSA-N 1 2 356.474 2.493 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)NCc2nccs2)[NH+]2CCOCC2)s1 ZINC000178574437 546813840 /nfs/dbraw/zinc/81/38/40/546813840.db2.gz RTUKHNFQEJQHDW-CYBMUJFWSA-N 1 2 366.512 2.386 10 0 FEAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1Sc1ccccc1 ZINC000179178662 546911251 /nfs/dbraw/zinc/91/12/51/546911251.db2.gz HEVVHLVYGGZTFU-CABCVRRESA-N 1 2 358.463 2.204 10 0 FEAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1Sc1ccccc1 ZINC000179178662 546911253 /nfs/dbraw/zinc/91/12/53/546911253.db2.gz HEVVHLVYGGZTFU-CABCVRRESA-N 1 2 358.463 2.204 10 0 FEAELO COc1cccc(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1OC(F)F ZINC000180229417 547069941 /nfs/dbraw/zinc/06/99/41/547069941.db2.gz OQAKHQKJPCCNML-ZFWWWQNUSA-N 1 2 356.413 2.449 10 0 FEAELO C[C@@H]1CN(Cc2cc(O)ccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000180233585 547071028 /nfs/dbraw/zinc/07/10/28/547071028.db2.gz MAABBKWSLDBILA-WBMJQRKESA-N 1 2 355.276 2.307 10 0 FEAELO Cc1ncc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000180517941 547122599 /nfs/dbraw/zinc/12/25/99/547122599.db2.gz CTCWNKOMCQCSDN-MLGOLLRUSA-N 1 2 360.483 2.347 10 0 FEAELO Cc1ncc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000180517941 547122603 /nfs/dbraw/zinc/12/26/03/547122603.db2.gz CTCWNKOMCQCSDN-MLGOLLRUSA-N 1 2 360.483 2.347 10 0 FEAELO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nn1-c1cccc(F)c1 ZINC000180715771 547164447 /nfs/dbraw/zinc/16/44/47/547164447.db2.gz JXAXKWQVTCOGOS-KRWDZBQOSA-N 1 2 373.432 2.258 10 0 FEAELO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000181547114 547332639 /nfs/dbraw/zinc/33/26/39/547332639.db2.gz BKVSPJZTAVROAB-GFCCVEGCSA-N 1 2 367.421 2.457 10 0 FEAELO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000181547114 547332641 /nfs/dbraw/zinc/33/26/41/547332641.db2.gz BKVSPJZTAVROAB-GFCCVEGCSA-N 1 2 367.421 2.457 10 0 FEAELO COC1(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CCC1 ZINC000181630728 547347611 /nfs/dbraw/zinc/34/76/11/547347611.db2.gz FPRWMBFIDWUIKO-GJZGRUSLSA-N 1 2 367.515 2.378 10 0 FEAELO COC1(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CCC1 ZINC000181630728 547347614 /nfs/dbraw/zinc/34/76/14/547347614.db2.gz FPRWMBFIDWUIKO-GJZGRUSLSA-N 1 2 367.515 2.378 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)N[C@H]1CCCOCC1 ZINC000181795701 547382898 /nfs/dbraw/zinc/38/28/98/547382898.db2.gz KPVYIYAFESGAHU-HOTGVXAUSA-N 1 2 367.515 2.332 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000184211471 547787725 /nfs/dbraw/zinc/78/77/25/547787725.db2.gz MLEFYSDAFOKOKG-KRWDZBQOSA-N 1 2 370.457 2.114 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000184211471 547787728 /nfs/dbraw/zinc/78/77/28/547787728.db2.gz MLEFYSDAFOKOKG-KRWDZBQOSA-N 1 2 370.457 2.114 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000184230511 547791725 /nfs/dbraw/zinc/79/17/25/547791725.db2.gz QXKZVJCKTRNPSW-SFHVURJKSA-N 1 2 361.486 2.201 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000184230511 547791729 /nfs/dbraw/zinc/79/17/29/547791729.db2.gz QXKZVJCKTRNPSW-SFHVURJKSA-N 1 2 361.486 2.201 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(-c2nncn2CC)c1 ZINC000184249424 547794128 /nfs/dbraw/zinc/79/41/28/547794128.db2.gz ULKHNQWWSJNNBX-QGZVFWFLSA-N 1 2 357.458 2.404 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(-c2nncn2CC)c1 ZINC000184249424 547794130 /nfs/dbraw/zinc/79/41/30/547794130.db2.gz ULKHNQWWSJNNBX-QGZVFWFLSA-N 1 2 357.458 2.404 10 0 FEAELO CC[C@H]1CN(C(=O)Nc2ccccc2C[S@](C)=O)CC[N@@H+]1CCOC ZINC000184361347 547813658 /nfs/dbraw/zinc/81/36/58/547813658.db2.gz NDROJIFQRDJXCC-LMKMVOKYSA-N 1 2 367.515 2.140 10 0 FEAELO CC[C@H]1CN(C(=O)Nc2ccccc2C[S@](C)=O)CC[N@H+]1CCOC ZINC000184361347 547813662 /nfs/dbraw/zinc/81/36/62/547813662.db2.gz NDROJIFQRDJXCC-LMKMVOKYSA-N 1 2 367.515 2.140 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3Cl)CCO2)c1 ZINC000185004698 547916348 /nfs/dbraw/zinc/91/63/48/547916348.db2.gz GNHHBKUIARZVFD-PBHICJAKSA-N 1 2 353.825 2.418 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3Cl)CCO2)c1 ZINC000185004698 547916352 /nfs/dbraw/zinc/91/63/52/547916352.db2.gz GNHHBKUIARZVFD-PBHICJAKSA-N 1 2 353.825 2.418 10 0 FEAELO CNC(=O)c1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000185756668 548031092 /nfs/dbraw/zinc/03/10/92/548031092.db2.gz WCGDNTHDMRAZIO-UHFFFAOYSA-N 1 2 351.410 2.033 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000186692430 548175184 /nfs/dbraw/zinc/17/51/84/548175184.db2.gz UWLPGHBTHTXYPU-UHFFFAOYSA-N 1 2 350.850 2.359 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000186692430 548175187 /nfs/dbraw/zinc/17/51/87/548175187.db2.gz UWLPGHBTHTXYPU-UHFFFAOYSA-N 1 2 350.850 2.359 10 0 FEAELO Cc1csc([C@@H]2CN(C(=O)NCc3ccc[nH+]c3N(C)C)CCO2)n1 ZINC000194049868 548428544 /nfs/dbraw/zinc/42/85/44/548428544.db2.gz UKHRZPQDXARGLP-AWEZNQCLSA-N 1 2 361.471 2.196 10 0 FEAELO CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000195287445 548613268 /nfs/dbraw/zinc/61/32/68/548613268.db2.gz VRUFNDZFHJKYLZ-HNNXBMFYSA-N 1 2 350.426 2.332 10 0 FEAELO COc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1OC ZINC000224351309 548729253 /nfs/dbraw/zinc/72/92/53/548729253.db2.gz WNMWBFZHMVXDKT-UHFFFAOYSA-N 1 2 371.441 2.412 10 0 FEAELO CN(CCCOc1ccc(F)cc1)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000246214798 549080578 /nfs/dbraw/zinc/08/05/78/549080578.db2.gz XOLCZIMJFPSVDU-INIZCTEOSA-N 1 2 360.433 2.482 10 0 FEAELO CN(CCCOc1ccc(F)cc1)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000246214798 549080582 /nfs/dbraw/zinc/08/05/82/549080582.db2.gz XOLCZIMJFPSVDU-INIZCTEOSA-N 1 2 360.433 2.482 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2cnn3c2CCCC3)c2cccs2)CCO1 ZINC000246225445 549083348 /nfs/dbraw/zinc/08/33/48/549083348.db2.gz DZRRUMYVLNUUQY-RHSMWYFYSA-N 1 2 374.510 2.473 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2cnn3c2CCCC3)c2cccs2)CCO1 ZINC000246225445 549083352 /nfs/dbraw/zinc/08/33/52/549083352.db2.gz DZRRUMYVLNUUQY-RHSMWYFYSA-N 1 2 374.510 2.473 10 0 FEAELO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246585450 549167742 /nfs/dbraw/zinc/16/77/42/549167742.db2.gz SSVADYQUVCEDAC-TZMCWYRMSA-N 1 2 374.275 2.461 10 0 FEAELO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246585450 549167744 /nfs/dbraw/zinc/16/77/44/549167744.db2.gz SSVADYQUVCEDAC-TZMCWYRMSA-N 1 2 374.275 2.461 10 0 FEAELO CCOCCO[C@H](C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246717547 549195760 /nfs/dbraw/zinc/19/57/60/549195760.db2.gz FYSHKMSFXLBGFZ-ARFHVFGLSA-N 1 2 370.515 2.068 10 0 FEAELO CCOCCO[C@H](C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246717547 549195764 /nfs/dbraw/zinc/19/57/64/549195764.db2.gz FYSHKMSFXLBGFZ-ARFHVFGLSA-N 1 2 370.515 2.068 10 0 FEAELO CCOCC[N@@H+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@H]1C ZINC000246950899 549249783 /nfs/dbraw/zinc/24/97/83/549249783.db2.gz BINDXHZBQLUWAV-CZUORRHYSA-N 1 2 363.502 2.448 10 0 FEAELO CCOCC[N@H+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@H]1C ZINC000246950899 549249785 /nfs/dbraw/zinc/24/97/85/549249785.db2.gz BINDXHZBQLUWAV-CZUORRHYSA-N 1 2 363.502 2.448 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CCO2)c1 ZINC000247811145 549383586 /nfs/dbraw/zinc/38/35/86/549383586.db2.gz UYQAUERVOXPDMX-SCTDSRPQSA-N 1 2 356.470 2.158 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CCO2)c1 ZINC000247811145 549383590 /nfs/dbraw/zinc/38/35/90/549383590.db2.gz UYQAUERVOXPDMX-SCTDSRPQSA-N 1 2 356.470 2.158 10 0 FEAELO Cc1cc(-c2noc(CN3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2)ccc1F ZINC000248071344 549404962 /nfs/dbraw/zinc/40/49/62/549404962.db2.gz MPMOIPNULIALKZ-PBHICJAKSA-N 1 2 360.433 2.337 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C[C@H](C)O)[NH+]2CCOCC2)s1 ZINC000248343050 549420586 /nfs/dbraw/zinc/42/05/86/549420586.db2.gz JZGRLNMHHGCKQO-DZKIICNBSA-N 1 2 369.531 2.136 10 0 FEAELO C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000248370403 549422909 /nfs/dbraw/zinc/42/29/09/549422909.db2.gz XLRSSBHIWKJMHQ-JONQDZQNSA-N 1 2 369.531 2.216 10 0 FEAELO C[C@H](O)C[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000248370403 549422912 /nfs/dbraw/zinc/42/29/12/549422912.db2.gz XLRSSBHIWKJMHQ-JONQDZQNSA-N 1 2 369.531 2.216 10 0 FEAELO OC[C@@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)C[C@H]1c1ccsc1 ZINC000248845570 549512686 /nfs/dbraw/zinc/51/26/86/549512686.db2.gz AKRDWKVIXXLSBH-GJZGRUSLSA-N 1 2 362.524 2.304 10 0 FEAELO OC[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1c1ccsc1 ZINC000248845570 549512688 /nfs/dbraw/zinc/51/26/88/549512688.db2.gz AKRDWKVIXXLSBH-GJZGRUSLSA-N 1 2 362.524 2.304 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@@H]2CCCO[C@@H]2C)c2cccs2)CCO1 ZINC000249649627 549614220 /nfs/dbraw/zinc/61/42/20/549614220.db2.gz ULZZFORMJVCTCC-KLHDSHLOSA-N 1 2 352.500 2.441 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@@H]2CCCO[C@@H]2C)c2cccs2)CCO1 ZINC000249649627 549614221 /nfs/dbraw/zinc/61/42/21/549614221.db2.gz ULZZFORMJVCTCC-KLHDSHLOSA-N 1 2 352.500 2.441 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1ccc(OC)cc1 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FEAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000106070089 543188046 /nfs/dbraw/zinc/18/80/46/543188046.db2.gz FJHHNZJZNQRABP-HNNXBMFYSA-N 1 2 367.453 2.219 10 0 FEAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000106070089 543188049 /nfs/dbraw/zinc/18/80/49/543188049.db2.gz FJHHNZJZNQRABP-HNNXBMFYSA-N 1 2 367.453 2.219 10 0 FEAELO COC(=O)c1cc(F)ccc1C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106071811 543188755 /nfs/dbraw/zinc/18/87/55/543188755.db2.gz LAEZPDUDMLKCNS-UHFFFAOYSA-N 1 2 358.417 2.423 10 0 FEAELO COC(=O)c1cc(F)ccc1C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106071811 543188757 /nfs/dbraw/zinc/18/87/57/543188757.db2.gz LAEZPDUDMLKCNS-UHFFFAOYSA-N 1 2 358.417 2.423 10 0 FEAELO Cc1ccc(N2CCC[N@H+](CC(=O)Nc3ccc(F)cc3F)CC2)nn1 ZINC000106074077 543189898 /nfs/dbraw/zinc/18/98/98/543189898.db2.gz DDCTXYWWQYIVHU-UHFFFAOYSA-N 1 2 361.396 2.214 10 0 FEAELO Cc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3F)CC2)nn1 ZINC000106074077 543189900 /nfs/dbraw/zinc/18/99/00/543189900.db2.gz DDCTXYWWQYIVHU-UHFFFAOYSA-N 1 2 361.396 2.214 10 0 FEAELO CCCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144765 543207637 /nfs/dbraw/zinc/20/76/37/543207637.db2.gz ZXRBZTVGJHWYNQ-KRWDZBQOSA-N 1 2 363.550 2.451 10 0 FEAELO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000106145179 543208627 /nfs/dbraw/zinc/20/86/27/543208627.db2.gz MCXGFOXPNOSFMV-QGZVFWFLSA-N 1 2 361.534 2.014 10 0 FEAELO C[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC000106161690 543211334 /nfs/dbraw/zinc/21/13/34/543211334.db2.gz RMHFENSTFFWLNP-SJORKVTESA-N 1 2 365.543 2.312 10 0 FEAELO C[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC000106161690 543211337 /nfs/dbraw/zinc/21/13/37/543211337.db2.gz RMHFENSTFFWLNP-SJORKVTESA-N 1 2 365.543 2.312 10 0 FEAELO CC(=O)NCc1ccc(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000110944992 543374572 /nfs/dbraw/zinc/37/45/72/543374572.db2.gz YKBYIHQPZYXGHU-UHFFFAOYSA-N 1 2 372.494 2.046 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cc(C(N)=O)ccc3C)CC2)s1 ZINC000111741684 543413663 /nfs/dbraw/zinc/41/36/63/543413663.db2.gz GEEHCCQEIMPFCB-UHFFFAOYSA-N 1 2 373.482 2.209 10 0 FEAELO Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c2)cn1 ZINC000114321951 543509866 /nfs/dbraw/zinc/50/98/66/543509866.db2.gz IMTGQUJISJKBBW-LJQANCHMSA-N 1 2 355.438 2.029 10 0 FEAELO Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2)cn1 ZINC000114321951 543509869 /nfs/dbraw/zinc/50/98/69/543509869.db2.gz IMTGQUJISJKBBW-LJQANCHMSA-N 1 2 355.438 2.029 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)NCCCO[C@@H]2CCCc3ccccc32)C1 ZINC000114026948 543501821 /nfs/dbraw/zinc/50/18/21/543501821.db2.gz HJNVIOQPUNICKX-IEBWSBKVSA-N 1 2 361.486 2.101 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)NCCCO[C@@H]2CCCc3ccccc32)C1 ZINC000114026948 543501824 /nfs/dbraw/zinc/50/18/24/543501824.db2.gz HJNVIOQPUNICKX-IEBWSBKVSA-N 1 2 361.486 2.101 10 0 FEAELO COCc1ccccc1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115389517 543563970 /nfs/dbraw/zinc/56/39/70/543563970.db2.gz QVTVOGFVXMGWOJ-UHFFFAOYSA-N 1 2 356.470 2.141 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)COc2cccc(C)c2)CC1 ZINC000115388494 543564432 /nfs/dbraw/zinc/56/44/32/543564432.db2.gz WRLNZBZMFBFCIS-UHFFFAOYSA-N 1 2 356.470 2.069 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000115389250 543564626 /nfs/dbraw/zinc/56/46/26/543564626.db2.gz WNXJBHRQCCGBJT-UHFFFAOYSA-N 1 2 365.481 2.487 10 0 FEAELO CCc1ccc(OCC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000115390208 543565125 /nfs/dbraw/zinc/56/51/25/543565125.db2.gz IJJXARUZBIQCEI-UHFFFAOYSA-N 1 2 370.497 2.323 10 0 FEAELO C[C@@H](CNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1)[NH+]1CCOCC1 ZINC000115796692 543586682 /nfs/dbraw/zinc/58/66/82/543586682.db2.gz SNPIMNKFXPZMLE-HKUYNNGSSA-N 1 2 360.502 2.018 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000117286568 543627976 /nfs/dbraw/zinc/62/79/76/543627976.db2.gz ZHCBIAKOGURPRB-AWEZNQCLSA-N 1 2 352.862 2.482 10 0 FEAELO COCC[N@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000117286568 543627980 /nfs/dbraw/zinc/62/79/80/543627980.db2.gz ZHCBIAKOGURPRB-AWEZNQCLSA-N 1 2 352.862 2.482 10 0 FEAELO c1cnn(C[C@@H]2C[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)c1 ZINC000121019250 543687937 /nfs/dbraw/zinc/68/79/37/543687937.db2.gz HZNXXOQJJZXWOY-PMACEKPBSA-N 1 2 357.454 2.342 10 0 FEAELO c1cnn(C[C@@H]2C[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)c1 ZINC000121019250 543687941 /nfs/dbraw/zinc/68/79/41/543687941.db2.gz HZNXXOQJJZXWOY-PMACEKPBSA-N 1 2 357.454 2.342 10 0 FEAELO COCCOc1cccc(C[N@@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000122546698 543709685 /nfs/dbraw/zinc/70/96/85/543709685.db2.gz FECFSXMKRMUWLK-HXUWFJFHSA-N 1 2 359.470 2.426 10 0 FEAELO COCCOc1cccc(C[N@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 ZINC000122546698 543709688 /nfs/dbraw/zinc/70/96/88/543709688.db2.gz FECFSXMKRMUWLK-HXUWFJFHSA-N 1 2 359.470 2.426 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)n1 ZINC000122571505 543710884 /nfs/dbraw/zinc/71/08/84/543710884.db2.gz FMUKTUSRDLYBGH-IBGZPJMESA-N 1 2 355.486 2.396 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)n1 ZINC000122571505 543710888 /nfs/dbraw/zinc/71/08/88/543710888.db2.gz FMUKTUSRDLYBGH-IBGZPJMESA-N 1 2 355.486 2.396 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc3c(c2)COC3)nc[nH+]1 ZINC000123792716 543783463 /nfs/dbraw/zinc/78/34/63/543783463.db2.gz VXZRUAHJGMIFBV-MRXNPFEDSA-N 1 2 368.441 2.339 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc3c(c2)COC3)[nH+]cn1 ZINC000123792716 543783464 /nfs/dbraw/zinc/78/34/64/543783464.db2.gz VXZRUAHJGMIFBV-MRXNPFEDSA-N 1 2 368.441 2.339 10 0 FEAELO Cc1csc([C@H]2C[N@H+](Cc3cnc(N4CCOCC4)s3)CCO2)n1 ZINC000128029193 544028843 /nfs/dbraw/zinc/02/88/43/544028843.db2.gz WUGIUJMBOJFUEU-CQSZACIVSA-N 1 2 366.512 2.318 10 0 FEAELO Cc1csc([C@H]2C[N@@H+](Cc3cnc(N4CCOCC4)s3)CCO2)n1 ZINC000128029193 544028845 /nfs/dbraw/zinc/02/88/45/544028845.db2.gz WUGIUJMBOJFUEU-CQSZACIVSA-N 1 2 366.512 2.318 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2scnc2C2CC2)nc[nH+]1 ZINC000128787828 544073420 /nfs/dbraw/zinc/07/34/20/544073420.db2.gz WALMNSUPLQYYOJ-GFCCVEGCSA-N 1 2 358.471 2.251 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2scnc2C2CC2)[nH+]cn1 ZINC000128787828 544073422 /nfs/dbraw/zinc/07/34/22/544073422.db2.gz WALMNSUPLQYYOJ-GFCCVEGCSA-N 1 2 358.471 2.251 10 0 FEAELO COc1c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(C)nn1C ZINC000129008506 544086222 /nfs/dbraw/zinc/08/62/22/544086222.db2.gz YQTFSBNZUNLDKP-UHFFFAOYSA-N 1 2 360.433 2.224 10 0 FEAELO COc1c(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(C)nn1C ZINC000129008506 544086226 /nfs/dbraw/zinc/08/62/26/544086226.db2.gz YQTFSBNZUNLDKP-UHFFFAOYSA-N 1 2 360.433 2.224 10 0 FEAELO CCc1nnc([C@@H]2CN(Cc3c[nH+]c(C)n3-c3ccccc3)CCO2)[nH]1 ZINC000129201228 544097121 /nfs/dbraw/zinc/09/71/21/544097121.db2.gz TZNBCOQJXADAPS-KRWDZBQOSA-N 1 2 352.442 2.435 10 0 FEAELO CCc1nc([C@@H]2CN(Cc3c[nH+]c(C)n3-c3ccccc3)CCO2)n[nH]1 ZINC000129201228 544097123 /nfs/dbraw/zinc/09/71/23/544097123.db2.gz TZNBCOQJXADAPS-KRWDZBQOSA-N 1 2 352.442 2.435 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3CSCCS3)CC2)s1 ZINC000132168673 544221492 /nfs/dbraw/zinc/22/14/92/544221492.db2.gz KBLCKNLFHGSYAC-AWEZNQCLSA-N 1 2 372.585 2.127 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2sc(COC)nc2C)C[C@@H]1CC ZINC000135014287 544330914 /nfs/dbraw/zinc/33/09/14/544330914.db2.gz KWFKMFFNFULFMJ-AWEZNQCLSA-N 1 2 355.504 2.171 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2sc(COC)nc2C)C[C@@H]1CC ZINC000135014287 544330917 /nfs/dbraw/zinc/33/09/17/544330917.db2.gz KWFKMFFNFULFMJ-AWEZNQCLSA-N 1 2 355.504 2.171 10 0 FEAELO COc1ccccc1N1CC[C@@H]([NH+]2CCC(Nc3cccnn3)CC2)C1=O ZINC000151043388 544499122 /nfs/dbraw/zinc/49/91/22/544499122.db2.gz IIKGQFFHHKSKHG-QGZVFWFLSA-N 1 2 367.453 2.167 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)C[C@@H](C)CC)CC2)cn1 ZINC000153269272 544753799 /nfs/dbraw/zinc/75/37/99/544753799.db2.gz PWCAJOLBJFIXHN-INIZCTEOSA-N 1 2 356.536 2.177 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)C[C@@H](C)CC)CC2)cn1 ZINC000153269272 544753805 /nfs/dbraw/zinc/75/38/05/544753805.db2.gz PWCAJOLBJFIXHN-INIZCTEOSA-N 1 2 356.536 2.177 10 0 FEAELO C[C@H](Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000153341406 544762988 /nfs/dbraw/zinc/76/29/88/544762988.db2.gz IUBOKJCSGVMEJJ-GOEBONIOSA-N 1 2 365.441 2.192 10 0 FEAELO C[C@H](Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1cn(-c2ccccc2)nn1 ZINC000153341406 544762990 /nfs/dbraw/zinc/76/29/90/544762990.db2.gz IUBOKJCSGVMEJJ-GOEBONIOSA-N 1 2 365.441 2.192 10 0 FEAELO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000154869657 544960549 /nfs/dbraw/zinc/96/05/49/544960549.db2.gz QBZKFKGDBGPMGM-INIZCTEOSA-N 1 2 374.485 2.073 10 0 FEAELO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000179324079 327636945 /nfs/dbraw/zinc/63/69/45/327636945.db2.gz NESPCIVCYJJDAQ-WMZOPIPTSA-N 1 2 358.417 2.090 10 0 FEAELO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000180063119 327669589 /nfs/dbraw/zinc/66/95/89/327669589.db2.gz LWTNYRBCZFTMPN-HZPDHXFCSA-N 1 2 373.280 2.350 10 0 FEAELO CC(C)(C)C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(F)(F)F ZINC000181795517 327746740 /nfs/dbraw/zinc/74/67/40/327746740.db2.gz NHEDSSJOGOEZCS-OLZOCXBDSA-N 1 2 351.413 2.470 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccnn1C(C)(C)C)C2 ZINC000182798958 327789229 /nfs/dbraw/zinc/78/92/29/327789229.db2.gz KMMMFPXCYQYUCW-UHFFFAOYSA-N 1 2 372.473 2.018 10 0 FEAELO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000184171468 327854180 /nfs/dbraw/zinc/85/41/80/327854180.db2.gz QUYHWKHFGBVALK-QHQPLOKBSA-N 1 2 356.875 2.047 10 0 FEAELO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000188065096 328063424 /nfs/dbraw/zinc/06/34/24/328063424.db2.gz PWIIQOCSKLTEAB-UONOGXRCSA-N 1 2 366.437 2.347 10 0 FEAELO C[C@H](NC(=O)N1CCC[C@@H](OCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189044008 328125597 /nfs/dbraw/zinc/12/55/97/328125597.db2.gz ZVPDOXUSHIVLSM-MAUKXSAKSA-N 1 2 358.442 2.116 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](CCOCC(F)(F)C(F)F)CCO2)n1 ZINC000189212291 328135302 /nfs/dbraw/zinc/13/53/02/328135302.db2.gz YQFASDRYKSBSIU-ZDUSSCGKSA-N 1 2 353.360 2.118 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCOCC(F)(F)C(F)F)CCO2)n1 ZINC000189212291 328135304 /nfs/dbraw/zinc/13/53/04/328135304.db2.gz YQFASDRYKSBSIU-ZDUSSCGKSA-N 1 2 353.360 2.118 10 0 FEAELO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189783165 328167798 /nfs/dbraw/zinc/16/77/98/328167798.db2.gz JHEAPNFYFNQZIE-SFHVURJKSA-N 1 2 363.465 2.303 10 0 FEAELO O=C(NCCc1cn2ccccc2[nH+]1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190113100 328188953 /nfs/dbraw/zinc/18/89/53/328188953.db2.gz XTUFBGJRUGVIEG-RDJZCZTQSA-N 1 2 370.478 2.356 10 0 FEAELO C[C@@H](CNC(=O)N(Cc1c(F)cccc1F)C1CC1)[NH+]1CCOCC1 ZINC000190978641 328243146 /nfs/dbraw/zinc/24/31/46/328243146.db2.gz GVAGAJJYCLVSKN-ZDUSSCGKSA-N 1 2 353.413 2.360 10 0 FEAELO CCOC1CC(CCNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1 ZINC000191677754 328276882 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C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CCCO1 ZINC000041918669 324517086 /nfs/dbraw/zinc/51/70/86/324517086.db2.gz FNYMLKOJRDKZNH-DYVFJYSZSA-N 1 2 370.453 2.385 10 0 FEAELO CCc1nc(CN2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)no1 ZINC000081161179 325161824 /nfs/dbraw/zinc/16/18/24/325161824.db2.gz MVNSCNOCFVWVHQ-JKSUJKDBSA-N 1 2 371.485 2.016 10 0 FEAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000087034673 325271100 /nfs/dbraw/zinc/27/11/00/325271100.db2.gz ZEBWQGYCDMNEJH-HNNXBMFYSA-N 1 2 369.473 2.170 10 0 FEAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000087034009 325271229 /nfs/dbraw/zinc/27/12/29/325271229.db2.gz YJJGGIHGDYXIBT-OAHLLOKOSA-N 1 2 369.473 2.170 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)C(=O)NC(CC)CC)CC2)n1 ZINC000106137715 325585825 /nfs/dbraw/zinc/58/58/25/325585825.db2.gz SMSFCABTYWYFGA-KGLIPLIRSA-N 1 2 351.495 2.004 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000106142315 325585991 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C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCCO[C@H](C)C2)c2cccs2)CCO1 ZINC000248339871 549420616 /nfs/dbraw/zinc/42/06/16/549420616.db2.gz IJOJULTYIJIUNE-BZUAXINKSA-N 1 2 367.515 2.330 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCCO[C@H](C)C2)c2cccs2)CCO1 ZINC000248339871 549420622 /nfs/dbraw/zinc/42/06/22/549420622.db2.gz IJOJULTYIJIUNE-BZUAXINKSA-N 1 2 367.515 2.330 10 0 FEAELO CS(=O)(=O)N(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000248913550 549526811 /nfs/dbraw/zinc/52/68/11/549526811.db2.gz ZADPGQPFMVTDJW-MSOLQXFVSA-N 1 2 352.500 2.092 10 0 FEAELO CS(=O)(=O)N(CC[N@H+]1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000248913550 549526813 /nfs/dbraw/zinc/52/68/13/549526813.db2.gz ZADPGQPFMVTDJW-MSOLQXFVSA-N 1 2 352.500 2.092 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NCCCO[C@H](C)c1ccccc1 ZINC000249558297 549604935 /nfs/dbraw/zinc/60/49/35/549604935.db2.gz KRTQGXJKNDLQSQ-OXQOHEQNSA-N 1 2 362.470 2.298 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NCCCO[C@H](C)c1ccccc1 ZINC000249558297 549604939 /nfs/dbraw/zinc/60/49/39/549604939.db2.gz KRTQGXJKNDLQSQ-OXQOHEQNSA-N 1 2 362.470 2.298 10 0 FEAELO C[C@H](O)[C@](C)(CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)Cc1ccccc1 ZINC000253353395 549682728 /nfs/dbraw/zinc/68/27/28/549682728.db2.gz UUGZHHHTALOBMO-MDKPJZGXSA-N 1 2 370.497 2.479 10 0 FEAELO C[C@H](O)[C@](C)(CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000253353395 549682731 /nfs/dbraw/zinc/68/27/31/549682731.db2.gz UUGZHHHTALOBMO-MDKPJZGXSA-N 1 2 370.497 2.479 10 0 FEAELO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c(=O)[nH]1 ZINC000253551115 549695239 /nfs/dbraw/zinc/69/52/39/549695239.db2.gz FXIONACJGZJCQW-ZFWWWQNUSA-N 1 2 361.467 2.349 10 0 FEAELO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c(=O)[nH]1 ZINC000253551115 549695245 /nfs/dbraw/zinc/69/52/45/549695245.db2.gz FXIONACJGZJCQW-ZFWWWQNUSA-N 1 2 361.467 2.349 10 0 FEAELO CCc1c(NC(=O)[C@@H]([NH3+])COC)[nH]nc1-c1ccc(Br)cc1 ZINC000262624223 549833149 /nfs/dbraw/zinc/83/31/49/549833149.db2.gz ZYNAJXJLPIRMGF-LBPRGKRZSA-N 1 2 367.247 2.314 10 0 FEAELO O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263208320 549885568 /nfs/dbraw/zinc/88/55/68/549885568.db2.gz JZLZGLNPAPBLKS-OAHLLOKOSA-N 1 2 372.375 2.220 10 0 FEAELO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)O[C@H](C)C2 ZINC000263314605 549894024 /nfs/dbraw/zinc/89/40/24/549894024.db2.gz ZGXGILDZBGPNHE-WCUVEOEZSA-N 1 2 366.408 2.378 10 0 FEAELO C[C@@](O)(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1cccc(Cl)c1 ZINC000274198245 550527287 /nfs/dbraw/zinc/52/72/87/550527287.db2.gz SROOJEGPXDLHBH-CRAIPNDOSA-N 1 2 362.861 2.411 10 0 FEAELO C[C@@](O)(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1cccc(Cl)c1 ZINC000274198245 550527289 /nfs/dbraw/zinc/52/72/89/550527289.db2.gz SROOJEGPXDLHBH-CRAIPNDOSA-N 1 2 362.861 2.411 10 0 FEAELO C[C@](O)(CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1ccccc1Cl ZINC000274196889 550527387 /nfs/dbraw/zinc/52/73/87/550527387.db2.gz SFJHSQQWKHOTTD-UGSOOPFHSA-N 1 2 362.861 2.411 10 0 FEAELO C[C@](O)(CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccccc1Cl ZINC000274196889 550527389 /nfs/dbraw/zinc/52/73/89/550527389.db2.gz SFJHSQQWKHOTTD-UGSOOPFHSA-N 1 2 362.861 2.411 10 0 FEAELO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC(C)(C)O1 ZINC000284597698 551586151 /nfs/dbraw/zinc/58/61/51/551586151.db2.gz QSHBUYPBDTYKNP-HNNXBMFYSA-N 1 2 356.413 2.049 10 0 FEAELO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC(C)(C)O1 ZINC000284597698 551586152 /nfs/dbraw/zinc/58/61/52/551586152.db2.gz QSHBUYPBDTYKNP-HNNXBMFYSA-N 1 2 356.413 2.049 10 0 FEAELO CC(C)Cc1noc(C[NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 ZINC000500406819 561571772 /nfs/dbraw/zinc/57/17/72/561571772.db2.gz POICMQFZSAIRGG-BEFAXECRSA-N 1 2 355.442 2.257 10 0 FEAELO CNS(=O)(=O)c1ccc(NCCNc2ccc3ccccc3[nH+]2)nc1 ZINC000301235860 553633957 /nfs/dbraw/zinc/63/39/57/553633957.db2.gz LVFUZCHABVXFOO-UHFFFAOYSA-N 1 2 357.439 2.062 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2ccn(-c3ccccc3)n2)[nH+]cn1 ZINC000301249964 553635611 /nfs/dbraw/zinc/63/56/11/553635611.db2.gz PHUJGIYPPCHQJB-QGZVFWFLSA-N 1 2 350.426 2.236 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCc2ccn(-c3ccccc3)n2)nc[nH+]1 ZINC000301249964 553635613 /nfs/dbraw/zinc/63/56/13/553635613.db2.gz PHUJGIYPPCHQJB-QGZVFWFLSA-N 1 2 350.426 2.236 10 0 FEAELO CC[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1noc(C)n1 ZINC000301475854 553654115 /nfs/dbraw/zinc/65/41/15/553654115.db2.gz NYMWSMVOLOVVAG-ZETCQYMHSA-N 1 2 352.196 2.380 10 0 FEAELO CCN1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328630292 553799007 /nfs/dbraw/zinc/79/90/07/553799007.db2.gz PSWJHXWCXCVHDG-SFHVURJKSA-N 1 2 372.494 2.405 10 0 FEAELO C[C@H]1CC[C@@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000399510515 558628309 /nfs/dbraw/zinc/62/83/09/558628309.db2.gz ZHEYSRKAYZENBP-WCQYABFASA-N 1 2 362.289 2.068 10 0 FEAELO C[C@H]1CC[C@@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000399510515 558628310 /nfs/dbraw/zinc/62/83/10/558628310.db2.gz ZHEYSRKAYZENBP-WCQYABFASA-N 1 2 362.289 2.068 10 0 FEAELO CC(C)(C)OC(=O)Nc1ccc([C@H](O)[C@@H]([NH3+])C(=O)OC(C)(C)C)cn1 ZINC000536961405 562583144 /nfs/dbraw/zinc/58/31/44/562583144.db2.gz XXOAJSMEGBVXKB-OLZOCXBDSA-N 1 2 353.419 2.131 10 0 FEAELO CC(C)(C)OC(=O)Nc1ccc([C@@H](O)[C@@H]([NH3+])C(=O)OC(C)(C)C)cn1 ZINC000536961404 562583205 /nfs/dbraw/zinc/58/32/05/562583205.db2.gz XXOAJSMEGBVXKB-CHWSQXEVSA-N 1 2 353.419 2.131 10 0 FEAELO CC(C)[N@H+]1C[C@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)[C@@H](C)C1 ZINC000159049442 672276791 /nfs/dbraw/zinc/27/67/91/672276791.db2.gz QZFXAOVCBZBONE-UWVGGRQHSA-N 1 2 366.455 2.203 10 0 FEAELO CC(C)[N@@H+]1C[C@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)[C@@H](C)C1 ZINC000159049442 672276795 /nfs/dbraw/zinc/27/67/95/672276795.db2.gz QZFXAOVCBZBONE-UWVGGRQHSA-N 1 2 366.455 2.203 10 0 FEAELO CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175196911 672366001 /nfs/dbraw/zinc/36/60/01/672366001.db2.gz JYJOZNMIDWSTHS-CQSZACIVSA-N 1 2 369.941 2.009 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000175292416 672366987 /nfs/dbraw/zinc/36/69/87/672366987.db2.gz OOYQXNPGUKYSHC-NRUITVPNSA-N 1 2 356.463 2.169 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C[C@@H]1C ZINC000175292416 672366989 /nfs/dbraw/zinc/36/69/89/672366989.db2.gz OOYQXNPGUKYSHC-NRUITVPNSA-N 1 2 356.463 2.169 10 0 FEAELO CC(C)(O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181394878 672426322 /nfs/dbraw/zinc/42/63/22/672426322.db2.gz UHQRYJCQUSFFPY-ZIAGYGMSSA-N 1 2 362.367 2.433 10 0 FEAELO CC(C)(O)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181394878 672426323 /nfs/dbraw/zinc/42/63/23/672426323.db2.gz UHQRYJCQUSFFPY-ZIAGYGMSSA-N 1 2 362.367 2.433 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C[C@@H]1C ZINC000184152438 672491378 /nfs/dbraw/zinc/49/13/78/672491378.db2.gz HFZUXIRQSDSLSF-MUAYPFOZSA-N 1 2 358.891 2.293 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)C[C@@H]1C ZINC000184152438 672491380 /nfs/dbraw/zinc/49/13/80/672491380.db2.gz HFZUXIRQSDSLSF-MUAYPFOZSA-N 1 2 358.891 2.293 10 0 FEAELO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC000907569002 691520680 /nfs/dbraw/zinc/52/06/80/691520680.db2.gz KLNVEMBSXDRDJA-HOCLYGCPSA-N 1 2 354.479 2.466 10 0 FEAELO CCOC(=O)c1cc(-c2ccccc2)nnc1NCC[NH+]1CCOCC1 ZINC000027626796 210244340 /nfs/dbraw/zinc/24/43/40/210244340.db2.gz UUEACXTZIFOPHV-UHFFFAOYSA-N 1 2 356.426 2.064 10 0 FEAELO C[C@@H]1CN(c2nc(Nc3ccccc3)nc(N3CCOCC3)[nH+]2)C[C@@H](C)O1 ZINC000028218634 539828089 /nfs/dbraw/zinc/82/80/89/539828089.db2.gz CKIDFOPIGQMOPJ-HUUCEWRRSA-N 1 2 370.457 2.065 10 0 FEAELO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000045816029 540229795 /nfs/dbraw/zinc/22/97/95/540229795.db2.gz RRPVLWPLRDXMAA-GFCCVEGCSA-N 1 2 364.389 2.444 10 0 FEAELO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000045816029 540229796 /nfs/dbraw/zinc/22/97/96/540229796.db2.gz RRPVLWPLRDXMAA-GFCCVEGCSA-N 1 2 364.389 2.444 10 0 FEAELO O=c1[nH]ncc(NCc2cn3cc(Br)ccc3[nH+]2)c1Cl ZINC000048626266 540368999 /nfs/dbraw/zinc/36/89/99/540368999.db2.gz BCWNVUXOLHOMHM-UHFFFAOYSA-N 1 2 354.595 2.446 10 0 FEAELO C[C@H](CNC(=O)N(C)CCCOc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000056863755 540751745 /nfs/dbraw/zinc/75/17/45/540751745.db2.gz BNVNQOHAUFLNHP-OAHLLOKOSA-N 1 2 369.893 2.471 10 0 FEAELO C[C@H](CNC(=O)N[C@H]1CCOc2c(Cl)cccc21)[NH+]1CCOCC1 ZINC000056805543 540747164 /nfs/dbraw/zinc/74/71/64/540747164.db2.gz AGSSTOPKXUQJPN-DOMZBBRYSA-N 1 2 353.850 2.184 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCCO2)[NH+]2CCOCC2)cc1 ZINC000057012278 540762053 /nfs/dbraw/zinc/76/20/53/540762053.db2.gz PEIRYNGQULSONU-WDSOQIARSA-N 1 2 361.486 2.235 10 0 FEAELO C[C@H]1C[NH+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000061744204 541138407 /nfs/dbraw/zinc/13/84/07/541138407.db2.gz YJIUYWKSJCRILK-HOTGVXAUSA-N 1 2 365.905 2.093 10 0 FEAELO CCOC(=O)CCCNC(=O)C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000066897280 541388527 /nfs/dbraw/zinc/38/85/27/541388527.db2.gz XYQZYKUYAXBWON-QGZVFWFLSA-N 1 2 362.470 2.298 10 0 FEAELO CCOC(=O)CCCNC(=O)C[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000066897280 541388531 /nfs/dbraw/zinc/38/85/31/541388531.db2.gz XYQZYKUYAXBWON-QGZVFWFLSA-N 1 2 362.470 2.298 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CC(C)(C)O1 ZINC000068474741 541596805 /nfs/dbraw/zinc/59/68/05/541596805.db2.gz CVPVPSLYGMQXPC-CYBMUJFWSA-N 1 2 352.504 2.177 10 0 FEAELO CCOC(=O)N1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000074876196 542132873 /nfs/dbraw/zinc/13/28/73/542132873.db2.gz NOYNARJAKLNUGZ-OAHLLOKOSA-N 1 2 371.441 2.417 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000076009156 542224254 /nfs/dbraw/zinc/22/42/54/542224254.db2.gz XOLXGOYSUGOZDY-ZDUSSCGKSA-N 1 2 353.488 2.353 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1cccs1 ZINC000076009156 542224257 /nfs/dbraw/zinc/22/42/57/542224257.db2.gz XOLXGOYSUGOZDY-ZDUSSCGKSA-N 1 2 353.488 2.353 10 0 FEAELO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000077366500 542373655 /nfs/dbraw/zinc/37/36/55/542373655.db2.gz XVMZENGIVNGAMT-GJZGRUSLSA-N 1 2 350.459 2.162 10 0 FEAELO NC(=O)CCn1cc(C[NH2+]Cc2noc(-c3ccco3)n2)c2ccccc21 ZINC000067588368 221260493 /nfs/dbraw/zinc/26/04/93/221260493.db2.gz KGHZKCYDPUBRJN-UHFFFAOYSA-N 1 2 365.393 2.450 10 0 FEAELO CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000101780655 543045063 /nfs/dbraw/zinc/04/50/63/543045063.db2.gz IOSHESDEQKEYTN-QGZVFWFLSA-N 1 2 373.501 2.272 10 0 FEAELO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000105283682 543169510 /nfs/dbraw/zinc/16/95/10/543169510.db2.gz GPPPCYYRMIGKPL-LBPRGKRZSA-N 1 2 361.364 2.388 10 0 FEAELO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000105283682 543169513 /nfs/dbraw/zinc/16/95/13/543169513.db2.gz GPPPCYYRMIGKPL-LBPRGKRZSA-N 1 2 361.364 2.388 10 0 FEAELO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)sc1C ZINC000106069394 543188351 /nfs/dbraw/zinc/18/83/51/543188351.db2.gz NPIGFCSVIVBBKB-ZDUSSCGKSA-N 1 2 360.487 2.089 10 0 FEAELO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCCN(c3cccnn3)CC2)sc1C ZINC000106069394 543188352 /nfs/dbraw/zinc/18/83/52/543188352.db2.gz NPIGFCSVIVBBKB-ZDUSSCGKSA-N 1 2 360.487 2.089 10 0 FEAELO COCCN1CC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1C ZINC000106109256 543199688 /nfs/dbraw/zinc/19/96/88/543199688.db2.gz WKDKGUPHABUNAI-QUCCMNQESA-N 1 2 359.514 2.393 10 0 FEAELO COCCN1CC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1C ZINC000106109256 543199689 /nfs/dbraw/zinc/19/96/89/543199689.db2.gz WKDKGUPHABUNAI-QUCCMNQESA-N 1 2 359.514 2.393 10 0 FEAELO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106083581 543192431 /nfs/dbraw/zinc/19/24/31/543192431.db2.gz RPBWUAYZIFBIBM-OAHLLOKOSA-N 1 2 364.457 2.114 10 0 FEAELO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc3ccccc3c2)CCN1C[C@@H](C)O ZINC000106103224 543197508 /nfs/dbraw/zinc/19/75/08/543197508.db2.gz ZFQVHAROSKKBBK-UIFIKXQLSA-N 1 2 372.509 2.357 10 0 FEAELO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)CCN1C[C@@H](C)O ZINC000106103224 543197509 /nfs/dbraw/zinc/19/75/09/543197509.db2.gz ZFQVHAROSKKBBK-UIFIKXQLSA-N 1 2 372.509 2.357 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000106132257 543206208 /nfs/dbraw/zinc/20/62/08/543206208.db2.gz VHKUENQMFMVWQU-BZNIZROVSA-N 1 2 352.385 2.068 10 0 FEAELO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144725 543207786 /nfs/dbraw/zinc/20/77/86/543207786.db2.gz WBGSRBXKZAPPCP-SJORKVTESA-N 1 2 363.550 2.449 10 0 FEAELO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144722 543207817 /nfs/dbraw/zinc/20/78/17/543207817.db2.gz WBGSRBXKZAPPCP-DLBZAZTESA-N 1 2 363.550 2.449 10 0 FEAELO CCOc1ccnc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)n1 ZINC000106152985 543209140 /nfs/dbraw/zinc/20/91/40/543209140.db2.gz UICUVKYKVQPCNE-HNNXBMFYSA-N 1 2 355.442 2.025 10 0 FEAELO Cn1ccnc1COc1ccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000106189562 543215245 /nfs/dbraw/zinc/21/52/45/543215245.db2.gz NMAGVHFWPWGTNH-LJQANCHMSA-N 1 2 367.453 2.097 10 0 FEAELO Cn1ccnc1COc1ccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000106189562 543215248 /nfs/dbraw/zinc/21/52/48/543215248.db2.gz NMAGVHFWPWGTNH-LJQANCHMSA-N 1 2 367.453 2.097 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cccc(C(=O)N(C)C)c3)CCO2)n1 ZINC000106199580 543216598 /nfs/dbraw/zinc/21/65/98/543216598.db2.gz OAKKVVGCSPHLDO-LJQANCHMSA-N 1 2 356.470 2.103 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cccc(C(=O)N(C)C)c3)CCO2)n1 ZINC000106199580 543216602 /nfs/dbraw/zinc/21/66/02/543216602.db2.gz OAKKVVGCSPHLDO-LJQANCHMSA-N 1 2 356.470 2.103 10 0 FEAELO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000106224753 543219849 /nfs/dbraw/zinc/21/98/49/543219849.db2.gz SOGZMUBGXWTPAH-OAHLLOKOSA-N 1 2 358.442 2.484 10 0 FEAELO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000106224753 543219852 /nfs/dbraw/zinc/21/98/52/543219852.db2.gz SOGZMUBGXWTPAH-OAHLLOKOSA-N 1 2 358.442 2.484 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C(=O)OC)c3)CC2)cn1 ZINC000109663278 543333208 /nfs/dbraw/zinc/33/32/08/543333208.db2.gz XZRUECRKJCJDAS-UHFFFAOYSA-N 1 2 370.453 2.038 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(C(=O)OC)c3)CC2)cn1 ZINC000109663278 543333209 /nfs/dbraw/zinc/33/32/09/543333209.db2.gz XZRUECRKJCJDAS-UHFFFAOYSA-N 1 2 370.453 2.038 10 0 FEAELO Cc1cccn2cc(CNC(=O)[C@@H](C)NC(=O)Nc3ccccc3)[nH+]c12 ZINC000110799481 543368679 /nfs/dbraw/zinc/36/86/79/543368679.db2.gz NWLQHILMIBGTGF-CQSZACIVSA-N 1 2 351.410 2.469 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)CC2)s1 ZINC000110939612 543374772 /nfs/dbraw/zinc/37/47/72/543374772.db2.gz MNQFOGMSNOERBF-MRXNPFEDSA-N 1 2 370.478 2.222 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cnc(C4CC4)nc3)CC2)s1 ZINC000111757488 543414397 /nfs/dbraw/zinc/41/43/97/543414397.db2.gz FPUSUDQRPQEUPJ-UHFFFAOYSA-N 1 2 358.471 2.469 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cnn(-c3ccccc3)n1)C2 ZINC000112667672 543456514 /nfs/dbraw/zinc/45/65/14/543456514.db2.gz QFLBWWFVPZUCGF-UHFFFAOYSA-N 1 2 350.426 2.323 10 0 FEAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(N2CCOCC2)cc1 ZINC000114202655 543507682 /nfs/dbraw/zinc/50/76/82/543507682.db2.gz RDUGMBSPRUDSDG-LJQANCHMSA-N 1 2 369.469 2.412 10 0 FEAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccc(N2CCOCC2)cc1 ZINC000114202655 543507684 /nfs/dbraw/zinc/50/76/84/543507684.db2.gz RDUGMBSPRUDSDG-LJQANCHMSA-N 1 2 369.469 2.412 10 0 FEAELO Cc1noc(C)c1[C@@H](C)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115389440 543564271 /nfs/dbraw/zinc/56/42/71/543564271.db2.gz ZYBSIYWKNDUOCD-GFCCVEGCSA-N 1 2 359.474 2.090 10 0 FEAELO CCc1ccc(O)c(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000115713832 543582745 /nfs/dbraw/zinc/58/27/45/543582745.db2.gz ZVELDKCFWKWUFA-UHFFFAOYSA-N 1 2 356.470 2.263 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000117368738 543630638 /nfs/dbraw/zinc/63/06/38/543630638.db2.gz NFXBFLOJQOEATG-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000117368738 543630639 /nfs/dbraw/zinc/63/06/39/543630639.db2.gz NFXBFLOJQOEATG-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000117521856 543635078 /nfs/dbraw/zinc/63/50/78/543635078.db2.gz VSYSRXYIPFFMBR-CQSZACIVSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000117521856 543635082 /nfs/dbraw/zinc/63/50/82/543635082.db2.gz VSYSRXYIPFFMBR-CQSZACIVSA-N 1 2 367.877 2.156 10 0 FEAELO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c2cccnc12 ZINC000123400498 543759809 /nfs/dbraw/zinc/75/98/09/543759809.db2.gz KLUDUNQLOKJZCK-AWEZNQCLSA-N 1 2 356.426 2.182 10 0 FEAELO CCc1ccc(C[NH+]2CCN(C(=O)NCCn3cc(C)cn3)CC2)s1 ZINC000127222152 543979090 /nfs/dbraw/zinc/97/90/90/543979090.db2.gz MCCQLQFBLVJPLF-UHFFFAOYSA-N 1 2 361.515 2.343 10 0 FEAELO O=C(NCCCn1cc[nH+]c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000132274338 544225139 /nfs/dbraw/zinc/22/51/39/544225139.db2.gz HFUJTANPYGMKFW-CJNGLKHVSA-N 1 2 350.369 2.069 10 0 FEAELO CC(C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000133324365 544264646 /nfs/dbraw/zinc/26/46/46/544264646.db2.gz DCYCVBSLUZJIGV-MSOLQXFVSA-N 1 2 363.502 2.188 10 0 FEAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)Cc3ccc(O)cc3)CC2)cn1 ZINC000133795573 544283743 /nfs/dbraw/zinc/28/37/43/544283743.db2.gz IXJHWQVRXWOCGW-UHFFFAOYSA-N 1 2 356.470 2.231 10 0 FEAELO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000134004247 544291154 /nfs/dbraw/zinc/29/11/54/544291154.db2.gz LFTICBHREBGFSR-ZFWWWQNUSA-N 1 2 369.303 2.465 10 0 FEAELO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000134004247 544291155 /nfs/dbraw/zinc/29/11/55/544291155.db2.gz LFTICBHREBGFSR-ZFWWWQNUSA-N 1 2 369.303 2.465 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@@H]2CSC)nc[nH+]1 ZINC000153401189 544771511 /nfs/dbraw/zinc/77/15/11/544771511.db2.gz WPGXSSPUOKUHSA-ZIAGYGMSSA-N 1 2 364.519 2.024 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@@H]2CSC)[nH+]cn1 ZINC000153401189 544771514 /nfs/dbraw/zinc/77/15/14/544771514.db2.gz WPGXSSPUOKUHSA-ZIAGYGMSSA-N 1 2 364.519 2.024 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NC2(c3cccc(Br)c3)CC2)C1 ZINC000154746972 544943720 /nfs/dbraw/zinc/94/37/20/544943720.db2.gz BKIODVWHWZJVED-AWEZNQCLSA-N 1 2 368.275 2.068 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NC2(c3cccc(Br)c3)CC2)C1 ZINC000154746972 544943724 /nfs/dbraw/zinc/94/37/24/544943724.db2.gz BKIODVWHWZJVED-AWEZNQCLSA-N 1 2 368.275 2.068 10 0 FEAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182323276 327770478 /nfs/dbraw/zinc/77/04/78/327770478.db2.gz POXXMMBCJBAVND-INIZCTEOSA-N 1 2 351.414 2.427 10 0 FEAELO CCS[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182862443 327791738 /nfs/dbraw/zinc/79/17/38/327791738.db2.gz QOUXJKNXRHPMFA-WDEREUQCSA-N 1 2 370.500 2.382 10 0 FEAELO C[C@@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)c1ccccc1 ZINC000183056953 327799383 /nfs/dbraw/zinc/79/93/83/327799383.db2.gz JVHNVELPJNFNEF-QUCCMNQESA-N 1 2 368.477 2.374 10 0 FEAELO C[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1cn(C)c2ccccc12 ZINC000185556729 327922273 /nfs/dbraw/zinc/92/22/73/327922273.db2.gz XFFGDICPUKWVQF-TWOQFEAHSA-N 1 2 355.482 2.461 10 0 FEAELO O=C(NC1C[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1)C1CCC1 ZINC000185939093 327939958 /nfs/dbraw/zinc/93/99/58/327939958.db2.gz WYZJEHRAIQJWMT-AWEZNQCLSA-N 1 2 373.280 2.334 10 0 FEAELO Cc1ccc(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1Br ZINC000187480591 328028934 /nfs/dbraw/zinc/02/89/34/328028934.db2.gz IALONTIYXREYFX-HNNXBMFYSA-N 1 2 367.287 2.233 10 0 FEAELO Cc1ccc2c(CCNC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cn(C)c2c1 ZINC000187789696 328046470 /nfs/dbraw/zinc/04/64/70/328046470.db2.gz AGIQMEYGDOFWAZ-GOSISDBHSA-N 1 2 370.497 2.145 10 0 FEAELO COCCO[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189043349 328125539 /nfs/dbraw/zinc/12/55/39/328125539.db2.gz MHEJAOLJZVKLHB-MAUKXSAKSA-N 1 2 358.442 2.380 10 0 FEAELO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000189410243 328146579 /nfs/dbraw/zinc/14/65/79/328146579.db2.gz PCCBGVWWFUZJMN-BPUTZDHNSA-N 1 2 362.474 2.114 10 0 FEAELO C[C@@H](CNC(=O)Nc1ccc(Cl)cc1-n1cccn1)[NH+]1CCOCC1 ZINC000189915933 328175960 /nfs/dbraw/zinc/17/59/60/328175960.db2.gz ZRSKHUGGLAGVJA-ZDUSSCGKSA-N 1 2 363.849 2.368 10 0 FEAELO CCn1cc([C@H]2C[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)CCO2)cn1 ZINC000190736327 328229065 /nfs/dbraw/zinc/22/90/65/328229065.db2.gz DBCBESLQJIWXAG-OXJNMPFZSA-N 1 2 370.453 2.198 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)CCO2)cn1 ZINC000190736327 328229066 /nfs/dbraw/zinc/22/90/66/328229066.db2.gz DBCBESLQJIWXAG-OXJNMPFZSA-N 1 2 370.453 2.198 10 0 FEAELO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C)c1 ZINC000190758680 328230886 /nfs/dbraw/zinc/23/08/86/328230886.db2.gz ARHDXKHICOXQSO-OAHLLOKOSA-N 1 2 356.426 2.220 10 0 FEAELO Cc1cc(F)c(Br)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000190903190 328239480 /nfs/dbraw/zinc/23/94/80/328239480.db2.gz ZMFXFWKVLFCOQU-JTQLQIEISA-N 1 2 360.227 2.349 10 0 FEAELO Cc1cc(F)c(Br)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000190903190 328239481 /nfs/dbraw/zinc/23/94/81/328239481.db2.gz ZMFXFWKVLFCOQU-JTQLQIEISA-N 1 2 360.227 2.349 10 0 FEAELO COc1ccc(C(=O)CCCCCC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000191029827 328246425 /nfs/dbraw/zinc/24/64/25/328246425.db2.gz PEXPYCIVVXWRMX-SFHVURJKSA-N 1 2 362.470 2.275 10 0 FEAELO COc1ccc(C(=O)CCCCCC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000191029827 328246426 /nfs/dbraw/zinc/24/64/26/328246426.db2.gz PEXPYCIVVXWRMX-SFHVURJKSA-N 1 2 362.470 2.275 10 0 FEAELO CC(=O)NC1C[NH+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000191731532 328279284 /nfs/dbraw/zinc/27/92/84/328279284.db2.gz JDXJRJQWTZFBNN-QGZVFWFLSA-N 1 2 356.422 2.039 10 0 FEAELO CCOCC[N@@H+]1CCN(c2ccc(S(=O)(=O)CC)cc2)C[C@H]1CC ZINC000191813487 328283413 /nfs/dbraw/zinc/28/34/13/328283413.db2.gz LLPKEUMXOVLIKR-MRXNPFEDSA-N 1 2 354.516 2.417 10 0 FEAELO CCOCC[N@H+]1CCN(c2ccc(S(=O)(=O)CC)cc2)C[C@H]1CC ZINC000191813487 328283414 /nfs/dbraw/zinc/28/34/14/328283414.db2.gz LLPKEUMXOVLIKR-MRXNPFEDSA-N 1 2 354.516 2.417 10 0 FEAELO CCC[C@H](C)NC(=O)[C@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979429 328291617 /nfs/dbraw/zinc/29/16/17/328291617.db2.gz LPRQHPIMSRWBIA-HOTGVXAUSA-N 1 2 369.550 2.418 10 0 FEAELO CCC[C@H](C)NC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979429 328291618 /nfs/dbraw/zinc/29/16/18/328291618.db2.gz LPRQHPIMSRWBIA-HOTGVXAUSA-N 1 2 369.550 2.418 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)CCC(=O)OC(C)(C)C)CC2)s1 ZINC000192390879 328317457 /nfs/dbraw/zinc/31/74/57/328317457.db2.gz IRVSWRZCWDQFRS-UHFFFAOYSA-N 1 2 353.488 2.218 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000192470659 328321044 /nfs/dbraw/zinc/32/10/44/328321044.db2.gz ROFOITCYJFTZKQ-CYBMUJFWSA-N 1 2 368.275 2.390 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000192470659 328321045 /nfs/dbraw/zinc/32/10/45/328321045.db2.gz ROFOITCYJFTZKQ-CYBMUJFWSA-N 1 2 368.275 2.390 10 0 FEAELO O=C(c1ccc(F)cc1I)N1CCn2cc[nH+]c2C1 ZINC000226932184 328484341 /nfs/dbraw/zinc/48/43/41/328484341.db2.gz OLCZXTUFCLTZFA-UHFFFAOYSA-N 1 2 371.153 2.283 10 0 FEAELO C[C@H](CNC(=O)c1ccccc1NCc1cccnc1)[NH+]1CCOCC1 ZINC000081938422 325203506 /nfs/dbraw/zinc/20/35/06/325203506.db2.gz NEZWZQMMNQMNCV-MRXNPFEDSA-N 1 2 354.454 2.144 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000083066828 325212492 /nfs/dbraw/zinc/21/24/92/325212492.db2.gz UBUOJSLUONKIQH-GFCCVEGCSA-N 1 2 369.874 2.176 10 0 FEAELO CCC[C@@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1CC)c1ccccc1 ZINC000083066806 325212686 /nfs/dbraw/zinc/21/26/86/325212686.db2.gz OKTYOTYABVUWDC-MRXNPFEDSA-N 1 2 363.483 2.475 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000083066913 325212723 /nfs/dbraw/zinc/21/27/23/325212723.db2.gz HFXWIVHODDHIGQ-LLVKDONJSA-N 1 2 355.847 2.498 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000083066971 325212845 /nfs/dbraw/zinc/21/28/45/325212845.db2.gz HHQNJHYTFPXCII-NSHDSACASA-N 1 2 355.847 2.498 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)NCc1ccccc1Cl 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2 360.502 2.465 10 0 FEAELO CCn1c(C)cc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1C ZINC000115388392 325955457 /nfs/dbraw/zinc/95/54/57/325955457.db2.gz CXVPXQDJBBYADJ-UHFFFAOYSA-N 1 2 357.502 2.433 10 0 FEAELO O=C(CC1=CCCCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117311313 326056850 /nfs/dbraw/zinc/05/68/50/326056850.db2.gz NTMXLZLFDYWKNC-LJQANCHMSA-N 1 2 358.482 2.461 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000117369661 326059242 /nfs/dbraw/zinc/05/92/42/326059242.db2.gz GNAQGXZDYUBXBV-LBPRGKRZSA-N 1 2 366.405 2.047 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000117369661 326059244 /nfs/dbraw/zinc/05/92/44/326059244.db2.gz GNAQGXZDYUBXBV-LBPRGKRZSA-N 1 2 366.405 2.047 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(Br)ccc2O)C[C@@H]1C ZINC000117424484 326060590 /nfs/dbraw/zinc/06/05/90/326060590.db2.gz FNWLHMXCFBKNML-LBPRGKRZSA-N 1 2 371.275 2.338 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cc(Br)ccc2O)C[C@@H]1C ZINC000117424484 326060592 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C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000120893080 326297115 /nfs/dbraw/zinc/29/71/15/326297115.db2.gz AHLGQMYGLGGFLA-GOEBONIOSA-N 1 2 352.475 2.487 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@H]1C ZINC000120911468 326298467 /nfs/dbraw/zinc/29/84/67/326298467.db2.gz VYTVXJBQGDQXAX-GFCCVEGCSA-N 1 2 364.870 2.129 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@H]1C ZINC000120911468 326298469 /nfs/dbraw/zinc/29/84/69/326298469.db2.gz VYTVXJBQGDQXAX-GFCCVEGCSA-N 1 2 364.870 2.129 10 0 FEAELO COCCOc1ccc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000121330038 326330355 /nfs/dbraw/zinc/33/03/55/326330355.db2.gz CIORKLBYTNWALV-HNNXBMFYSA-N 1 2 360.458 2.282 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](Cc3ccccc3NC(C)=O)CC2)n1 ZINC000121413431 326336979 /nfs/dbraw/zinc/33/69/79/326336979.db2.gz DLICIYGTZSIUBC-AWEZNQCLSA-N 1 2 357.458 2.469 10 0 FEAELO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121798028 326368316 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O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC(c2cc[nH]n2)CC1 ZINC000156087471 326817072 /nfs/dbraw/zinc/81/70/72/326817072.db2.gz MHCARPMFCYBFGJ-UHFFFAOYSA-N 1 2 354.458 2.494 10 0 FEAELO CCc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1CC ZINC000162922022 327037867 /nfs/dbraw/zinc/03/78/67/327037867.db2.gz JROTWWKMUCSGNT-HNAYVOBHSA-N 1 2 366.527 2.153 10 0 FEAELO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000163325360 327048729 /nfs/dbraw/zinc/04/87/29/327048729.db2.gz SDEODQBFBWVXKT-JTQLQIEISA-N 1 2 353.469 2.356 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000170923619 327107411 /nfs/dbraw/zinc/10/74/11/327107411.db2.gz JTALSRSNKHRACQ-KRWDZBQOSA-N 1 2 356.426 2.004 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000170923619 327107412 /nfs/dbraw/zinc/10/74/12/327107412.db2.gz JTALSRSNKHRACQ-KRWDZBQOSA-N 1 2 356.426 2.004 10 0 FEAELO Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171288411 327129970 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O=C(c1cnc2ccccc2n1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171813569 327163329 /nfs/dbraw/zinc/16/33/29/327163329.db2.gz GWOKGNODBNSSLS-FQEVSTJZSA-N 1 2 362.433 2.121 10 0 FEAELO Cc1ccc(C)n1-c1nc(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000172750597 327216872 /nfs/dbraw/zinc/21/68/72/327216872.db2.gz ZHDCEUNCMBWGIC-KRWDZBQOSA-N 1 2 374.510 2.026 10 0 FEAELO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2F)n1 ZINC000172752370 327216951 /nfs/dbraw/zinc/21/69/51/327216951.db2.gz ZFJXIAOEDJYNCE-QGZVFWFLSA-N 1 2 372.444 2.175 10 0 FEAELO COc1ccc(O[C@@H](C)CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000172778064 327218563 /nfs/dbraw/zinc/21/85/63/327218563.db2.gz BHVHDVUXBWFUMX-LSDHHAIUSA-N 1 2 358.442 2.326 10 0 FEAELO COc1ccc(O[C@@H](C)CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000172778064 327218565 /nfs/dbraw/zinc/21/85/65/327218565.db2.gz BHVHDVUXBWFUMX-LSDHHAIUSA-N 1 2 358.442 2.326 10 0 FEAELO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@@H](Cn4cccn4)C3)ccc2o1 ZINC000172793541 327219378 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O=C(NCc1ccccc1OC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173765703 327282363 /nfs/dbraw/zinc/28/23/63/327282363.db2.gz ITQYWHKLCGORLV-AWEZNQCLSA-N 1 2 373.375 2.201 10 0 FEAELO O=C(NCc1sccc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173797294 327285068 /nfs/dbraw/zinc/28/50/68/327285068.db2.gz NKBQRRKSGREOSI-NSHDSACASA-N 1 2 374.304 2.127 10 0 FEAELO CC(C)(C)c1csc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000173827384 327286919 /nfs/dbraw/zinc/28/69/19/327286919.db2.gz IPMXLZHBMONBDR-CYBMUJFWSA-N 1 2 352.504 2.057 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000173830821 327287417 /nfs/dbraw/zinc/28/74/17/327287417.db2.gz SWKQCMYGKBONHZ-KDOFPFPSSA-N 1 2 360.502 2.308 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000173872536 327290340 /nfs/dbraw/zinc/29/03/40/327290340.db2.gz FJURLNPZDLDFAI-IAQYHMDHSA-N 1 2 371.250 2.381 10 0 FEAELO C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912508 327294085 /nfs/dbraw/zinc/29/40/85/327294085.db2.gz XQGFPOJCEYUAQB-HNNXBMFYSA-N 1 2 373.420 2.403 10 0 FEAELO CCOc1ccc(-c2noc(CN3CC[C@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000173923759 327294862 /nfs/dbraw/zinc/29/48/62/327294862.db2.gz RHYRFTPPECSAFQ-INIZCTEOSA-N 1 2 358.442 2.042 10 0 FEAELO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000173926559 327295117 /nfs/dbraw/zinc/29/51/17/327295117.db2.gz GWJNXAULWLZSIN-OAHLLOKOSA-N 1 2 357.376 2.050 10 0 FEAELO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000173926559 327295118 /nfs/dbraw/zinc/29/51/18/327295118.db2.gz GWJNXAULWLZSIN-OAHLLOKOSA-N 1 2 357.376 2.050 10 0 FEAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000173926559 327295120 /nfs/dbraw/zinc/29/51/20/327295120.db2.gz GWJNXAULWLZSIN-OAHLLOKOSA-N 1 2 357.376 2.050 10 0 FEAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)N(Cc1ccco1)c1ccccc1 ZINC000173946462 327296851 /nfs/dbraw/zinc/29/68/51/327296851.db2.gz PJJBPCZMEBDLMM-LJQANCHMSA-N 1 2 369.465 2.219 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(OC)c2)nc[nH+]1 ZINC000174153606 327309170 /nfs/dbraw/zinc/30/91/70/327309170.db2.gz OXOSIQFCTLQWII-CQSZACIVSA-N 1 2 356.430 2.317 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(OC)c2)[nH+]cn1 ZINC000174153606 327309172 /nfs/dbraw/zinc/30/91/72/327309172.db2.gz OXOSIQFCTLQWII-CQSZACIVSA-N 1 2 356.430 2.317 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(N(C)C)cc2)nc[nH+]1 ZINC000174201239 327312651 /nfs/dbraw/zinc/31/26/51/327312651.db2.gz WESOAOBBMJWRKO-MRXNPFEDSA-N 1 2 369.473 2.375 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(N(C)C)cc2)[nH+]cn1 ZINC000174201239 327312652 /nfs/dbraw/zinc/31/26/52/327312652.db2.gz WESOAOBBMJWRKO-MRXNPFEDSA-N 1 2 369.473 2.375 10 0 FEAELO C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174205780 327312916 /nfs/dbraw/zinc/31/29/16/327312916.db2.gz KOZARGUDJVFFOH-CQSZACIVSA-N 1 2 357.458 2.489 10 0 FEAELO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(-c2ccncc2)cc1 ZINC000174242319 327315072 /nfs/dbraw/zinc/31/50/72/327315072.db2.gz FJKNDHIYNJWETG-KXBFYZLASA-N 1 2 354.454 2.439 10 0 FEAELO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(-c2ccncc2)cc1 ZINC000174242319 327315074 /nfs/dbraw/zinc/31/50/74/327315074.db2.gz FJKNDHIYNJWETG-KXBFYZLASA-N 1 2 354.454 2.439 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2O)nc[nH+]1 ZINC000174744539 327347769 /nfs/dbraw/zinc/34/77/69/327347769.db2.gz INVUOGPWXJOFDT-GFCCVEGCSA-N 1 2 361.833 2.276 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2O)[nH+]cn1 ZINC000174744539 327347770 /nfs/dbraw/zinc/34/77/70/327347770.db2.gz INVUOGPWXJOFDT-GFCCVEGCSA-N 1 2 361.833 2.276 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000174748424 327348022 /nfs/dbraw/zinc/34/80/22/327348022.db2.gz YZWMLNDLXKDVDD-LBPRGKRZSA-N 1 2 363.792 2.071 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000174748424 327348024 /nfs/dbraw/zinc/34/80/24/327348024.db2.gz YZWMLNDLXKDVDD-LBPRGKRZSA-N 1 2 363.792 2.071 10 0 FEAELO CC1CCC(N(C[C@@H]2CCCO2)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174749085 327348242 /nfs/dbraw/zinc/34/82/42/327348242.db2.gz XVKUDAVVYGBRIF-FOIPXRHGSA-N 1 2 353.507 2.086 10 0 FEAELO CC1CCC(N(C[C@@H]2CCCO2)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174749085 327348244 /nfs/dbraw/zinc/34/82/44/327348244.db2.gz XVKUDAVVYGBRIF-FOIPXRHGSA-N 1 2 353.507 2.086 10 0 FEAELO Cc1cc(CC(=O)N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)no1 ZINC000174876283 327357144 /nfs/dbraw/zinc/35/71/44/327357144.db2.gz CUIHHPPWKZOIOE-UHFFFAOYSA-N 1 2 365.437 2.056 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C[C@H]1C ZINC000174955265 327363435 /nfs/dbraw/zinc/36/34/35/327363435.db2.gz DBKUXYDANCWFJN-HUUCEWRRSA-N 1 2 350.434 2.214 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)C[C@H]1C ZINC000174955265 327363436 /nfs/dbraw/zinc/36/34/36/327363436.db2.gz DBKUXYDANCWFJN-HUUCEWRRSA-N 1 2 350.434 2.214 10 0 FEAELO CN(C)C(=O)c1ccc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000175042859 327370437 /nfs/dbraw/zinc/37/04/37/327370437.db2.gz HABPSTUDKFFFOD-INIZCTEOSA-N 1 2 374.510 2.355 10 0 FEAELO Cc1cnn(CCC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)c1 ZINC000176574606 327464131 /nfs/dbraw/zinc/46/41/31/327464131.db2.gz MNDVTKPERNGMQT-MRXNPFEDSA-N 1 2 362.499 2.141 10 0 FEAELO Cc1cscc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000176756831 327473979 /nfs/dbraw/zinc/47/39/79/327473979.db2.gz SBHDAFZESZBENE-INIZCTEOSA-N 1 2 360.479 2.254 10 0 FEAELO COc1ccc(OC)c(CCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177440912 327522449 /nfs/dbraw/zinc/52/24/49/327522449.db2.gz DIFNOCFQYZKXSW-MRXNPFEDSA-N 1 2 358.442 2.317 10 0 FEAELO C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)[C@@H]1CCCO1 ZINC000248881017 328746570 /nfs/dbraw/zinc/74/65/70/328746570.db2.gz QSEQULUFNYYDHZ-DLTWYDFYSA-N 1 2 362.474 2.062 10 0 FEAELO COc1cc(F)c(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1F ZINC000156173831 545604971 /nfs/dbraw/zinc/60/49/71/545604971.db2.gz YATLWEAHADAJQK-XHDPSFHLSA-N 1 2 355.385 2.158 10 0 FEAELO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CC[C@@]2(CCOC2)C1 ZINC000157784385 545782686 /nfs/dbraw/zinc/78/26/86/545782686.db2.gz JIXUVGCFRIHEHT-HXUWFJFHSA-N 1 2 354.454 2.296 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(N(C)C)cc2F)nc[nH+]1 ZINC000157921609 545800205 /nfs/dbraw/zinc/80/02/05/545800205.db2.gz QRMDEGZYCSTVJA-CQSZACIVSA-N 1 2 372.448 2.122 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(N(C)C)cc2F)[nH+]cn1 ZINC000157921609 545800210 /nfs/dbraw/zinc/80/02/10/545800210.db2.gz QRMDEGZYCSTVJA-CQSZACIVSA-N 1 2 372.448 2.122 10 0 FEAELO CCc1cccc(CC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1 ZINC000157924911 545800225 /nfs/dbraw/zinc/80/02/25/545800225.db2.gz KIQZVDOEGZJVMW-KRWDZBQOSA-N 1 2 353.470 2.408 10 0 FEAELO CCc1cccc(CC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)c1 ZINC000157924911 545800228 /nfs/dbraw/zinc/80/02/28/545800228.db2.gz KIQZVDOEGZJVMW-KRWDZBQOSA-N 1 2 353.470 2.408 10 0 FEAELO CC[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Oc1ccccc1Cl ZINC000175734283 546340754 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O=C(NCCCn1cnc2ccccc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177363686 546601262 /nfs/dbraw/zinc/60/12/62/546601262.db2.gz XGLAWCOIHJWGQF-MRXNPFEDSA-N 1 2 352.442 2.497 10 0 FEAELO O=C(CC1CCCCC1)NCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177477015 546627407 /nfs/dbraw/zinc/62/74/07/546627407.db2.gz DWXCHAGEHXNGJY-QGZVFWFLSA-N 1 2 361.490 2.144 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(-c2cccnc2)cc1 ZINC000177486418 546629268 /nfs/dbraw/zinc/62/92/68/546629268.db2.gz TVLUAMGNWZORFR-BEFAXECRSA-N 1 2 354.454 2.439 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(-c2cccnc2)cc1 ZINC000177486418 546629271 /nfs/dbraw/zinc/62/92/71/546629271.db2.gz TVLUAMGNWZORFR-BEFAXECRSA-N 1 2 354.454 2.439 10 0 FEAELO O=C(NCc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177489918 546630274 /nfs/dbraw/zinc/63/02/74/546630274.db2.gz QTPIWQAHUJMWPX-MRXNPFEDSA-N 1 2 356.426 2.419 10 0 FEAELO O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177779183 546684402 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CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000183107270 547602997 /nfs/dbraw/zinc/60/29/97/547602997.db2.gz MGPCPIWPTGBING-QGZVFWFLSA-N 1 2 372.473 2.211 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)OC[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000183203800 547620176 /nfs/dbraw/zinc/62/01/76/547620176.db2.gz MJZVQWBROMCOSP-LZWOXQAQSA-N 1 2 367.515 2.249 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000184209184 547786975 /nfs/dbraw/zinc/78/69/75/547786975.db2.gz PWOODYAWKULROZ-IBGZPJMESA-N 1 2 356.470 2.049 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000184209184 547786980 /nfs/dbraw/zinc/78/69/80/547786980.db2.gz PWOODYAWKULROZ-IBGZPJMESA-N 1 2 356.470 2.049 10 0 FEAELO O=C(NC1C[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1)C1CCC1 ZINC000185935306 548061696 /nfs/dbraw/zinc/06/16/96/548061696.db2.gz IKKSRZXKSXRXEL-HNNXBMFYSA-N 1 2 372.387 2.046 10 0 FEAELO O=C(NC1C[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1)C1CCC1 ZINC000185933633 548061716 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ZINC000106202993 543217332 /nfs/dbraw/zinc/21/73/32/543217332.db2.gz JJLNNVWMHLYEHD-AZUAARDMSA-N 1 2 370.497 2.248 10 0 FEAELO CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000106215983 543219438 /nfs/dbraw/zinc/21/94/38/543219438.db2.gz PRGLWBXMVGSFGV-INIZCTEOSA-N 1 2 370.453 2.048 10 0 FEAELO CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000106215983 543219440 /nfs/dbraw/zinc/21/94/40/543219440.db2.gz PRGLWBXMVGSFGV-INIZCTEOSA-N 1 2 370.453 2.048 10 0 FEAELO COc1ccccc1COC[C@@H](O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106379084 543227167 /nfs/dbraw/zinc/22/71/67/543227167.db2.gz ADOPLHJBDIAFFD-KRWDZBQOSA-N 1 2 373.497 2.488 10 0 FEAELO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106379084 543227169 /nfs/dbraw/zinc/22/71/69/543227169.db2.gz ADOPLHJBDIAFFD-KRWDZBQOSA-N 1 2 373.497 2.488 10 0 FEAELO COc1ccccc1COC[C@@H](O)C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000106379084 543227170 /nfs/dbraw/zinc/22/71/70/543227170.db2.gz ADOPLHJBDIAFFD-KRWDZBQOSA-N 1 2 373.497 2.488 10 0 FEAELO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000106458080 543230920 /nfs/dbraw/zinc/23/09/20/543230920.db2.gz UCDIWVCSKWIJBR-UHFFFAOYSA-N 1 2 360.285 2.456 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(COC)o3)CC2)cn1 ZINC000107253825 543264077 /nfs/dbraw/zinc/26/40/77/543264077.db2.gz JBUPSOMBEUFNJU-UHFFFAOYSA-N 1 2 360.458 2.381 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(COC)o3)CC2)cn1 ZINC000107253825 543264080 /nfs/dbraw/zinc/26/40/80/543264080.db2.gz JBUPSOMBEUFNJU-UHFFFAOYSA-N 1 2 360.458 2.381 10 0 FEAELO Cc1nn(C)c(C)c1[C@H]1CCCN1c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000108951185 543308859 /nfs/dbraw/zinc/30/88/59/543308859.db2.gz JXEIWIKEZHMKSH-DLBZAZTESA-N 1 2 370.501 2.377 10 0 FEAELO Cc1nn(C)c(C)c1[C@H]1CCCN1c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000108951185 543308862 /nfs/dbraw/zinc/30/88/62/543308862.db2.gz JXEIWIKEZHMKSH-DLBZAZTESA-N 1 2 370.501 2.377 10 0 FEAELO COc1ccc(CC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1F ZINC000110942058 543374610 /nfs/dbraw/zinc/37/46/10/543374610.db2.gz TTWZYSLCBKBEQD-UHFFFAOYSA-N 1 2 363.458 2.486 10 0 FEAELO C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111682760 543411980 /nfs/dbraw/zinc/41/19/80/543411980.db2.gz SXOPZGIOCXUOFU-HZPDHXFCSA-N 1 2 365.905 2.002 10 0 FEAELO CCCNC(=O)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112371000 543444240 /nfs/dbraw/zinc/44/42/40/543444240.db2.gz PROUPCUSIHCPJN-UHFFFAOYSA-N 1 2 351.248 2.455 10 0 FEAELO Cc1ccc2oc(N3CCN(C(=O)NCCCn4cc[nH+]c4)CC3)nc2c1 ZINC000112430513 543446481 /nfs/dbraw/zinc/44/64/81/543446481.db2.gz SPBFQCNCTNOZQR-UHFFFAOYSA-N 1 2 368.441 2.255 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000115713822 543582828 /nfs/dbraw/zinc/58/28/28/543582828.db2.gz PWWUBABVHGBCFT-UHFFFAOYSA-N 1 2 362.861 2.354 10 0 FEAELO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000247472365 549338983 /nfs/dbraw/zinc/33/89/83/549338983.db2.gz RTPVJEMUBUQACA-ZJUUUORDSA-N 1 2 364.439 2.053 10 0 FEAELO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000247472365 549338986 /nfs/dbraw/zinc/33/89/86/549338986.db2.gz RTPVJEMUBUQACA-ZJUUUORDSA-N 1 2 364.439 2.053 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C[C@@H]1C ZINC000117286283 543627494 /nfs/dbraw/zinc/62/74/94/543627494.db2.gz MREUPXDJJXAPAZ-INIZCTEOSA-N 1 2 358.482 2.317 10 0 FEAELO COCC[N@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C[C@@H]1C ZINC000117286283 543627499 /nfs/dbraw/zinc/62/74/99/543627499.db2.gz MREUPXDJJXAPAZ-INIZCTEOSA-N 1 2 358.482 2.317 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)CSCC(=O)c2ccccc2)C[C@H]1C ZINC000117283663 543627945 /nfs/dbraw/zinc/62/79/45/543627945.db2.gz VCMBGAZXRCVQLR-MRXNPFEDSA-N 1 2 364.511 2.172 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)CSCC(=O)c2ccccc2)C[C@H]1C ZINC000117283663 543627948 /nfs/dbraw/zinc/62/79/48/543627948.db2.gz VCMBGAZXRCVQLR-MRXNPFEDSA-N 1 2 364.511 2.172 10 0 FEAELO c1c2ccccc2oc1-c1nnc2sc(CC[NH+]3CCOCC3)nn21 ZINC000096194082 222070982 /nfs/dbraw/zinc/07/09/82/222070982.db2.gz KNMYYKCLOXMZPX-UHFFFAOYSA-N 1 2 355.423 2.474 10 0 FEAELO COc1ccc(Br)cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000134775941 544321307 /nfs/dbraw/zinc/32/13/07/544321307.db2.gz FNBVCHAZCIFIQJ-JSGCOSHPSA-N 1 2 370.247 2.004 10 0 FEAELO COc1ccc(Br)cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000134775941 544321309 /nfs/dbraw/zinc/32/13/09/544321309.db2.gz FNBVCHAZCIFIQJ-JSGCOSHPSA-N 1 2 370.247 2.004 10 0 FEAELO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000151296298 544525815 /nfs/dbraw/zinc/52/58/15/544525815.db2.gz LOKHFMBPEJRFMH-HNNXBMFYSA-N 1 2 362.474 2.432 10 0 FEAELO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000151296298 544525820 /nfs/dbraw/zinc/52/58/20/544525820.db2.gz LOKHFMBPEJRFMH-HNNXBMFYSA-N 1 2 362.474 2.432 10 0 FEAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)CCN1CCOC ZINC000155097382 544988334 /nfs/dbraw/zinc/98/83/34/544988334.db2.gz IJNLKNINJZHFLR-AZUAARDMSA-N 1 2 361.530 2.466 10 0 FEAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)CCN1CCOC ZINC000155097382 544988337 /nfs/dbraw/zinc/98/83/37/544988337.db2.gz IJNLKNINJZHFLR-AZUAARDMSA-N 1 2 361.530 2.466 10 0 FEAELO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)c(OC)c1 ZINC000155232935 545004356 /nfs/dbraw/zinc/00/43/56/545004356.db2.gz IKDJSFQDUDXQKB-ZDUSSCGKSA-N 1 2 370.413 2.182 10 0 FEAELO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)c(OC)c1 ZINC000155232935 545004357 /nfs/dbraw/zinc/00/43/57/545004357.db2.gz IKDJSFQDUDXQKB-ZDUSSCGKSA-N 1 2 370.413 2.182 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)c(OC)c2)nc[nH+]1 ZINC000187124904 328003521 /nfs/dbraw/zinc/00/35/21/328003521.db2.gz JFGBGQNESFFBIU-ZDUSSCGKSA-N 1 2 374.420 2.457 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)c(OC)c2)[nH+]cn1 ZINC000187124904 328003523 /nfs/dbraw/zinc/00/35/23/328003523.db2.gz JFGBGQNESFFBIU-ZDUSSCGKSA-N 1 2 374.420 2.457 10 0 FEAELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000187158664 328005639 /nfs/dbraw/zinc/00/56/39/328005639.db2.gz WPPNVCOKWUTUFX-HNNXBMFYSA-N 1 2 374.934 2.070 10 0 FEAELO C[C@H]1C(=O)NCCC[N@H+]1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000189291579 328139323 /nfs/dbraw/zinc/13/93/23/328139323.db2.gz ARFWPROTEDDUNR-PXNSSMCTSA-N 1 2 365.477 2.297 10 0 FEAELO C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000189291579 328139325 /nfs/dbraw/zinc/13/93/25/328139325.db2.gz ARFWPROTEDDUNR-PXNSSMCTSA-N 1 2 365.477 2.297 10 0 FEAELO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)cc1F ZINC000190698449 328225767 /nfs/dbraw/zinc/22/57/67/328225767.db2.gz ZYZREEJQAPXYFR-ZBFHGGJFSA-N 1 2 350.434 2.294 10 0 FEAELO CCOCC[N@@H+]1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1CC ZINC000192575511 328326655 /nfs/dbraw/zinc/32/66/55/328326655.db2.gz RQVDIXCOEWCKFN-KRWDZBQOSA-N 1 2 372.506 2.032 10 0 FEAELO CCOCC[N@H+]1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1CC ZINC000192575511 328326657 /nfs/dbraw/zinc/32/66/57/328326657.db2.gz RQVDIXCOEWCKFN-KRWDZBQOSA-N 1 2 372.506 2.032 10 0 FEAELO C[C@H](NC(=O)C(=O)Nc1ccc(F)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193387589 328372154 /nfs/dbraw/zinc/37/21/54/328372154.db2.gz BJQUMZVGZLRIPI-LBPRGKRZSA-N 1 2 353.357 2.222 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008273174 324361879 /nfs/dbraw/zinc/36/18/79/324361879.db2.gz ZNEXGOVHKOTMMB-UHFFFAOYSA-N 1 2 371.441 2.115 10 0 FEAELO C[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000043919039 324552929 /nfs/dbraw/zinc/55/29/29/324552929.db2.gz WPAZKJYUGODDAB-GFCCVEGCSA-N 1 2 361.364 2.470 10 0 FEAELO C[C@@H](NC(=O)N1CCC(CC(N)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471126 324945770 /nfs/dbraw/zinc/94/57/70/324945770.db2.gz GAWVKWPMVBUJHZ-CQSZACIVSA-N 1 2 355.442 2.230 10 0 FEAELO O=C(NCc1[nH+]ccn1CCc1ccccc1)N[C@@H]1CCCC[C@@H]1CO ZINC000083751448 325225027 /nfs/dbraw/zinc/22/50/27/325225027.db2.gz GTCXWAVIMFILKQ-QZTJIDSGSA-N 1 2 356.470 2.476 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000090226143 325356467 /nfs/dbraw/zinc/35/64/67/325356467.db2.gz PPMGXSPLKDKEKM-BLLLJJGKSA-N 1 2 363.487 2.023 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)NC3CCCCC3)CC2)s1 ZINC000106091635 325579048 /nfs/dbraw/zinc/57/90/48/325579048.db2.gz NSQJECPERBQMQF-CQSZACIVSA-N 1 2 350.532 2.407 10 0 FEAELO CC(C)(C)n1cc(C[NH+]2CCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cn1 ZINC000106144273 325586057 /nfs/dbraw/zinc/58/60/57/325586057.db2.gz ZYHBCOQXTCHMOP-GOSISDBHSA-N 1 2 373.476 2.121 10 0 FEAELO CCc1nc2n(n1)C[C@H](Nc1[nH+]cnc3c1cnn3-c1ccccc1)CC2 ZINC000108948369 325654343 /nfs/dbraw/zinc/65/43/43/325654343.db2.gz WRMXSSYGKUUSHC-CYBMUJFWSA-N 1 2 360.425 2.396 10 0 FEAELO Cc1cccc2[nH+]c(CNC(=O)N3CCO[C@H](c4nccs4)C3)cn21 ZINC000111863854 325742150 /nfs/dbraw/zinc/74/21/50/325742150.db2.gz QRJMYJIWUWLNCD-AWEZNQCLSA-N 1 2 357.439 2.382 10 0 FEAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000119590518 326178419 /nfs/dbraw/zinc/17/84/19/326178419.db2.gz OKYPKQXGSKNMBD-SFHVURJKSA-N 1 2 367.449 2.072 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000121511082 326344284 /nfs/dbraw/zinc/34/42/84/326344284.db2.gz UULKIZSAAYJWTP-CYBMUJFWSA-N 1 2 358.269 2.392 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)C1 ZINC000121511082 326344285 /nfs/dbraw/zinc/34/42/85/326344285.db2.gz UULKIZSAAYJWTP-CYBMUJFWSA-N 1 2 358.269 2.392 10 0 FEAELO C[C@@H](NC(=O)NCCCO[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000122223245 326388670 /nfs/dbraw/zinc/38/86/70/326388670.db2.gz SPHMXVKHECMIFC-CRAIPNDOSA-N 1 2 358.442 2.428 10 0 FEAELO CCc1ccccc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000126250320 326485619 /nfs/dbraw/zinc/48/56/19/326485619.db2.gz RBVRNPRTIQIHSC-IBGZPJMESA-N 1 2 368.477 2.447 10 0 FEAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cnc(Cc3ccccc3)s2)CC1 ZINC000152564784 326710531 /nfs/dbraw/zinc/71/05/31/326710531.db2.gz MADJMTTTWFUFJD-MRXNPFEDSA-N 1 2 359.495 2.263 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152690616 326714112 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CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1OCC ZINC000171528946 327144353 /nfs/dbraw/zinc/14/43/53/327144353.db2.gz RQDYKUCJYMIZOU-MRXNPFEDSA-N 1 2 373.457 2.351 10 0 FEAELO COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(c3ccnn3C)CC2)c1C ZINC000171639709 327150892 /nfs/dbraw/zinc/15/08/92/327150892.db2.gz RJYWPLQXADLZAK-UHFFFAOYSA-N 1 2 358.442 2.214 10 0 FEAELO CCOc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000171662674 327152982 /nfs/dbraw/zinc/15/29/82/327152982.db2.gz RZERJLSCQZXUCZ-PBHICJAKSA-N 1 2 364.467 2.355 10 0 FEAELO CCOc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000171662674 327152983 /nfs/dbraw/zinc/15/29/83/327152983.db2.gz RZERJLSCQZXUCZ-PBHICJAKSA-N 1 2 364.467 2.355 10 0 FEAELO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000171673573 327154214 /nfs/dbraw/zinc/15/42/14/327154214.db2.gz RJPXOKZJHPKSMT-MSOLQXFVSA-N 1 2 372.490 2.194 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)cn1 ZINC000171818373 327163451 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CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C)c(OC)c2)[nH+]cn1 ZINC000173414653 327254533 /nfs/dbraw/zinc/25/45/33/327254533.db2.gz BNXDMPMBYBVUQE-HNNXBMFYSA-N 1 2 355.442 2.234 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc3ccccn3c2)nc[nH+]1 ZINC000173418918 327254793 /nfs/dbraw/zinc/25/47/93/327254793.db2.gz ILZKTKIXYWMCEJ-INIZCTEOSA-N 1 2 350.426 2.170 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc3ccccn3c2)[nH+]cn1 ZINC000173418918 327254795 /nfs/dbraw/zinc/25/47/95/327254795.db2.gz ILZKTKIXYWMCEJ-INIZCTEOSA-N 1 2 350.426 2.170 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2ccco2)nc[nH+]1 ZINC000173418509 327254901 /nfs/dbraw/zinc/25/49/01/327254901.db2.gz CZJPGWJWZUROPV-KBPBESRZSA-N 1 2 358.446 2.483 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2ccco2)[nH+]cn1 ZINC000173418509 327254902 /nfs/dbraw/zinc/25/49/02/327254902.db2.gz CZJPGWJWZUROPV-KBPBESRZSA-N 1 2 358.446 2.483 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(COC)c2)nc[nH+]1 ZINC000173430162 327256139 /nfs/dbraw/zinc/25/61/39/327256139.db2.gz GGSAZSIOBANQRJ-INIZCTEOSA-N 1 2 355.442 2.064 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(COC)c2)[nH+]cn1 ZINC000173430162 327256140 /nfs/dbraw/zinc/25/61/40/327256140.db2.gz GGSAZSIOBANQRJ-INIZCTEOSA-N 1 2 355.442 2.064 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)c2ccc(C)o2)nc[nH+]1 ZINC000173464633 327259187 /nfs/dbraw/zinc/25/91/87/327259187.db2.gz GOQQNDGEHUBAPG-KGLIPLIRSA-N 1 2 358.446 2.449 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)c2ccc(C)o2)[nH+]cn1 ZINC000173464633 327259189 /nfs/dbraw/zinc/25/91/89/327259189.db2.gz GOQQNDGEHUBAPG-KGLIPLIRSA-N 1 2 358.446 2.449 10 0 FEAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1nnc2n1CCCC2 ZINC000173627863 327272411 /nfs/dbraw/zinc/27/24/11/327272411.db2.gz UVDMBNRFHRTIJU-NEPJUHHUSA-N 1 2 357.414 2.021 10 0 FEAELO CCOc1ccc(C(=O)CCC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173813368 327285962 /nfs/dbraw/zinc/28/59/62/327285962.db2.gz VBEXFTRPCSEBSZ-APWZRJJASA-N 1 2 374.481 2.227 10 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327294810 /nfs/dbraw/zinc/29/48/10/327294810.db2.gz DRKJBAKELYQOLH-GFCCVEGCSA-N 1 2 351.410 2.283 10 0 FEAELO C[C@@H](NC(=O)CCNC(=O)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173927923 327295191 /nfs/dbraw/zinc/29/51/91/327295191.db2.gz OSAGQXXQSRMGER-CQSZACIVSA-N 1 2 352.394 2.463 10 0 FEAELO C[C@@H](NC(=O)[C@@H](C)Sc1nncn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930181 327295272 /nfs/dbraw/zinc/29/52/72/327295272.db2.gz MNHILVODUAQNBK-CHWSQXEVSA-N 1 2 356.455 2.359 10 0 FEAELO C[C@@H](NC(=O)[C@H](C)Sc1nncn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930202 327295523 /nfs/dbraw/zinc/29/55/23/327295523.db2.gz MNHILVODUAQNBK-OLZOCXBDSA-N 1 2 356.455 2.359 10 0 FEAELO C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173934492 327295940 /nfs/dbraw/zinc/29/59/40/327295940.db2.gz KUXPTENHZQXAFR-AWEZNQCLSA-N 1 2 364.405 2.227 10 0 FEAELO C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174205768 327313071 /nfs/dbraw/zinc/31/30/71/327313071.db2.gz KOZARGUDJVFFOH-AWEZNQCLSA-N 1 2 357.458 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FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc(OC(F)(F)F)c1 ZINC000177765442 546682592 /nfs/dbraw/zinc/68/25/92/546682592.db2.gz FZHGDVVLYBPEJX-RISCZKNCSA-N 1 2 361.364 2.276 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc(OC(F)(F)F)c1 ZINC000177765442 546682597 /nfs/dbraw/zinc/68/25/97/546682597.db2.gz FZHGDVVLYBPEJX-RISCZKNCSA-N 1 2 361.364 2.276 10 0 FEAELO O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177779170 546684683 /nfs/dbraw/zinc/68/46/83/546684683.db2.gz LATQGIMCHPBVIM-HZPDHXFCSA-N 1 2 369.303 2.359 10 0 FEAELO O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000177779170 546684689 /nfs/dbraw/zinc/68/46/89/546684689.db2.gz LATQGIMCHPBVIM-HZPDHXFCSA-N 1 2 369.303 2.359 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)s1 ZINC000177966633 546713832 /nfs/dbraw/zinc/71/38/32/546713832.db2.gz QQVFQSRXGWIFIZ-ZDUSSCGKSA-N 1 2 363.491 2.138 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)s1 ZINC000177966633 546713835 /nfs/dbraw/zinc/71/38/35/546713835.db2.gz QQVFQSRXGWIFIZ-ZDUSSCGKSA-N 1 2 363.491 2.138 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)[C@H](O)c2ccccc2)c2cccs2)CCO1 ZINC000177974952 546715964 /nfs/dbraw/zinc/71/59/64/546715964.db2.gz RYDODEDADGHVSG-UWWQBHOKSA-N 1 2 360.479 2.360 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)[C@H](O)c2ccccc2)c2cccs2)CCO1 ZINC000177974952 546715968 /nfs/dbraw/zinc/71/59/68/546715968.db2.gz RYDODEDADGHVSG-UWWQBHOKSA-N 1 2 360.479 2.360 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC[C@H]1CCCOC1 ZINC000178587627 546816805 /nfs/dbraw/zinc/81/68/05/546816805.db2.gz HFSFGHDGDCYUGB-HZPDHXFCSA-N 1 2 367.515 2.189 10 0 FEAELO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118552 547054417 /nfs/dbraw/zinc/05/44/17/547054417.db2.gz QAPGUHKCDGJJKM-INIZCTEOSA-N 1 2 354.414 2.085 10 0 FEAELO COc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118552 547054423 /nfs/dbraw/zinc/05/44/23/547054423.db2.gz QAPGUHKCDGJJKM-INIZCTEOSA-N 1 2 354.414 2.085 10 0 FEAELO CCS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000182595347 547519113 /nfs/dbraw/zinc/51/91/13/547519113.db2.gz TYMONPCMHGGLHR-IBGZPJMESA-N 1 2 374.506 2.269 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000184259005 547796006 /nfs/dbraw/zinc/79/60/06/547796006.db2.gz KIJCUAGAUOKSDJ-IBGZPJMESA-N 1 2 360.498 2.352 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000184259005 547796013 /nfs/dbraw/zinc/79/60/13/547796013.db2.gz KIJCUAGAUOKSDJ-IBGZPJMESA-N 1 2 360.498 2.352 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000184370316 547815169 /nfs/dbraw/zinc/81/51/69/547815169.db2.gz WZPPAOXBMCDNII-SFHVURJKSA-N 1 2 365.449 2.102 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000184370316 547815172 /nfs/dbraw/zinc/81/51/72/547815172.db2.gz WZPPAOXBMCDNII-SFHVURJKSA-N 1 2 365.449 2.102 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCc1nc2ccccc2n1CC ZINC000184371430 547815188 /nfs/dbraw/zinc/81/51/88/547815188.db2.gz ASSIQQLCJFVILB-SFHVURJKSA-N 1 2 358.486 2.216 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCCc1nc2ccccc2n1CC ZINC000184371430 547815191 /nfs/dbraw/zinc/81/51/91/547815191.db2.gz ASSIQQLCJFVILB-SFHVURJKSA-N 1 2 358.486 2.216 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)c2cccc(Cl)c2F)C1 ZINC000184446978 547827784 /nfs/dbraw/zinc/82/77/84/547827784.db2.gz MOBZCNWCQHJENC-GFCCVEGCSA-N 1 2 357.857 2.387 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)c2cccc(Cl)c2F)C1 ZINC000184446978 547827790 /nfs/dbraw/zinc/82/77/90/547827790.db2.gz MOBZCNWCQHJENC-GFCCVEGCSA-N 1 2 357.857 2.387 10 0 FEAELO Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)on1 ZINC000186024962 548074337 /nfs/dbraw/zinc/07/43/37/548074337.db2.gz ZPGLXUBUCSRGCP-MJBXVCDLSA-N 1 2 364.446 2.157 10 0 FEAELO Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)on1 ZINC000186024962 548074341 /nfs/dbraw/zinc/07/43/41/548074341.db2.gz ZPGLXUBUCSRGCP-MJBXVCDLSA-N 1 2 364.446 2.157 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3O)CCCC4)CC2)cn1 ZINC000186036659 548075593 /nfs/dbraw/zinc/07/55/93/548075593.db2.gz CHCFGXKSDUCCLF-UHFFFAOYSA-N 1 2 368.481 2.353 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3O)CCCC4)CC2)cn1 ZINC000186036659 548075597 /nfs/dbraw/zinc/07/55/97/548075597.db2.gz CHCFGXKSDUCCLF-UHFFFAOYSA-N 1 2 368.481 2.353 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(-c3cncnc3)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000186168363 548094227 /nfs/dbraw/zinc/09/42/27/548094227.db2.gz BFKBJHMWYLDRMZ-KUHUBIRLSA-N 1 2 370.428 2.075 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000186331024 548120616 /nfs/dbraw/zinc/12/06/16/548120616.db2.gz WJOVRNMUWNUFLL-GOSISDBHSA-N 1 2 370.396 2.274 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000186331024 548120621 /nfs/dbraw/zinc/12/06/21/548120621.db2.gz WJOVRNMUWNUFLL-GOSISDBHSA-N 1 2 370.396 2.274 10 0 FEAELO C[C@H](NC(=O)N(C)C[C@@H](O)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000186333560 548120947 /nfs/dbraw/zinc/12/09/47/548120947.db2.gz HNLJJHYKVOLKAV-SMDDNHRTSA-N 1 2 356.348 2.498 10 0 FEAELO COC(=O)c1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000186475044 548140642 /nfs/dbraw/zinc/14/06/42/548140642.db2.gz UULVLGFGADQLHE-UHFFFAOYSA-N 1 2 352.394 2.460 10 0 FEAELO Cc1ccc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)c(C)n1 ZINC000186988350 548235919 /nfs/dbraw/zinc/23/59/19/548235919.db2.gz XVGSPXYJSIBYBX-HXUWFJFHSA-N 1 2 355.482 2.256 10 0 FEAELO O=S(=O)(c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)o1)N1CCCC1 ZINC000195507580 548652435 /nfs/dbraw/zinc/65/24/35/548652435.db2.gz GSJXLLULERQFRT-UHFFFAOYSA-N 1 2 364.471 2.167 10 0 FEAELO C[C@H]1CCCCN1C(=O)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000245411275 548910927 /nfs/dbraw/zinc/91/09/27/548910927.db2.gz WDCLLDOUCBTVMJ-DLBZAZTESA-N 1 2 365.543 2.454 10 0 FEAELO C[C@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000245411275 548910931 /nfs/dbraw/zinc/91/09/31/548910931.db2.gz WDCLLDOUCBTVMJ-DLBZAZTESA-N 1 2 365.543 2.454 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000245431788 548917876 /nfs/dbraw/zinc/91/78/76/548917876.db2.gz AYALEGBUEXHYQP-UHOSZYNNSA-N 1 2 374.481 2.460 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000245431788 548917882 /nfs/dbraw/zinc/91/78/82/548917882.db2.gz AYALEGBUEXHYQP-UHOSZYNNSA-N 1 2 374.481 2.460 10 0 FEAELO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245841766 549003008 /nfs/dbraw/zinc/00/30/08/549003008.db2.gz ZOKQLUHUBCGURH-UKRRQHHQSA-N 1 2 365.445 2.187 10 0 FEAELO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245841766 549003009 /nfs/dbraw/zinc/00/30/09/549003009.db2.gz ZOKQLUHUBCGURH-UKRRQHHQSA-N 1 2 365.445 2.187 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000246341028 549110247 /nfs/dbraw/zinc/11/02/47/549110247.db2.gz FGRDURINVDUPAE-CZUORRHYSA-N 1 2 371.403 2.296 10 0 FEAELO Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1C ZINC000246492302 549145317 /nfs/dbraw/zinc/14/53/17/549145317.db2.gz MIDSVNCHZLMNMS-YJBOKZPZSA-N 1 2 366.527 2.261 10 0 FEAELO C[C@H](C(=O)Nc1ccccc1Cl)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246540014 549155315 /nfs/dbraw/zinc/15/53/15/549155315.db2.gz SOOZSDDSBGNYLG-CKEIUWERSA-N 1 2 351.878 2.320 10 0 FEAELO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246540014 549155319 /nfs/dbraw/zinc/15/53/19/549155319.db2.gz SOOZSDDSBGNYLG-CKEIUWERSA-N 1 2 351.878 2.320 10 0 FEAELO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246540014 549155322 /nfs/dbraw/zinc/15/53/22/549155322.db2.gz SOOZSDDSBGNYLG-CKEIUWERSA-N 1 2 351.878 2.320 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246743149 549202013 /nfs/dbraw/zinc/20/20/13/549202013.db2.gz WWPAJODXZQAWCO-AZUAARDMSA-N 1 2 370.497 2.330 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246743149 549202020 /nfs/dbraw/zinc/20/20/20/549202020.db2.gz 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Cc1cccc(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000117312148 543629683 /nfs/dbraw/zinc/62/96/83/543629683.db2.gz RIQWLNBGXZHVBJ-LJQANCHMSA-N 1 2 354.450 2.193 10 0 FEAELO Cc1cnn(CCNC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1 ZINC000126490303 543939210 /nfs/dbraw/zinc/93/92/10/543939210.db2.gz CCLAKNXPXYJEDV-UHFFFAOYSA-N 1 2 365.393 2.134 10 0 FEAELO Cc1nc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)cs1 ZINC000096066306 222011077 /nfs/dbraw/zinc/01/10/77/222011077.db2.gz BVVCKDMAJRPAFL-XKQJLSEDSA-N 1 2 358.467 2.465 10 0 FEAELO Cc1nc(C[N@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)cs1 ZINC000096066306 222011080 /nfs/dbraw/zinc/01/10/80/222011080.db2.gz BVVCKDMAJRPAFL-XKQJLSEDSA-N 1 2 358.467 2.465 10 0 FEAELO CC(C)(C)c1nc(CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cs1 ZINC000133087486 544255283 /nfs/dbraw/zinc/25/52/83/544255283.db2.gz STGXJHZLTJVPEC-OAHLLOKOSA-N 1 2 366.531 2.099 10 0 FEAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2ccc(Cl)c(F)c2)[nH+]cn1 ZINC000135334946 544342796 /nfs/dbraw/zinc/34/27/96/544342796.db2.gz WUMLEQNIOLHJFA-IUODEOHRSA-N 1 2 366.824 2.376 10 0 FEAELO OC[C@H]1CCCN1c1cc(NC[C@@H](O)c2ccc(Cl)c(F)c2)nc[nH+]1 ZINC000135334946 544342798 /nfs/dbraw/zinc/34/27/98/544342798.db2.gz WUMLEQNIOLHJFA-IUODEOHRSA-N 1 2 366.824 2.376 10 0 FEAELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000150874208 544482181 /nfs/dbraw/zinc/48/21/81/544482181.db2.gz ODNJZYJHTHDENU-QGZVFWFLSA-N 1 2 366.425 2.217 10 0 FEAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(N2CCCC2)c1 ZINC000151333390 544529065 /nfs/dbraw/zinc/52/90/65/544529065.db2.gz IDRNCERLWCVVAZ-YLJYHZDGSA-N 1 2 372.513 2.464 10 0 FEAELO Cc1ccc(Cc2nc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)cs2)cc1 ZINC000153262602 544754287 /nfs/dbraw/zinc/75/42/87/544754287.db2.gz ULPNRJCIAABKHV-OAHLLOKOSA-N 1 2 359.495 2.493 10 0 FEAELO Cc1ncc(CN2CC[NH+](C[C@@H](O)COc3cccc(C)c3)CC2)s1 ZINC000155065290 544983795 /nfs/dbraw/zinc/98/37/95/544983795.db2.gz XMELPTBYFKNXEG-QGZVFWFLSA-N 1 2 361.511 2.317 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C[C@@H](O)COc3cccc(C)c3)CC2)s1 ZINC000155065290 544983799 /nfs/dbraw/zinc/98/37/99/544983799.db2.gz XMELPTBYFKNXEG-QGZVFWFLSA-N 1 2 361.511 2.317 10 0 FEAELO CCCCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182856167 327791453 /nfs/dbraw/zinc/79/14/53/327791453.db2.gz RSIXYWHKSHUOCA-NEPJUHHUSA-N 1 2 352.460 2.471 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cnn(Cc4ccc(F)cc4)c3)CCO2)c1 ZINC000187236308 328010230 /nfs/dbraw/zinc/01/02/30/328010230.db2.gz QJXIWALFYQEFDO-FQEVSTJZSA-N 1 2 369.444 2.476 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)CCO2)c1 ZINC000187236308 328010232 /nfs/dbraw/zinc/01/02/32/328010232.db2.gz QJXIWALFYQEFDO-FQEVSTJZSA-N 1 2 369.444 2.476 10 0 FEAELO CC[C@@H]1CN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1CCOC ZINC000187682078 328039405 /nfs/dbraw/zinc/03/94/05/328039405.db2.gz KJVZQPHSGBRECB-DOTOQJQBSA-N 1 2 354.516 2.194 10 0 FEAELO CC[C@@H]1CN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC[N@H+]1CCOC ZINC000187682078 328039406 /nfs/dbraw/zinc/03/94/06/328039406.db2.gz KJVZQPHSGBRECB-DOTOQJQBSA-N 1 2 354.516 2.194 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189491212 328151486 /nfs/dbraw/zinc/15/14/86/328151486.db2.gz QGBADTSVXDRGEP-OAHLLOKOSA-N 1 2 372.387 2.355 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189491212 328151487 /nfs/dbraw/zinc/15/14/87/328151487.db2.gz QGBADTSVXDRGEP-OAHLLOKOSA-N 1 2 372.387 2.355 10 0 FEAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189783186 328167685 /nfs/dbraw/zinc/16/76/85/328167685.db2.gz JHEAPNFYFNQZIE-GOSISDBHSA-N 1 2 363.465 2.303 10 0 FEAELO COc1c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c(C)nn1C ZINC000190022131 328182951 /nfs/dbraw/zinc/18/29/51/328182951.db2.gz UYFAAKLLPLBURK-UHFFFAOYSA-N 1 2 351.397 2.499 10 0 FEAELO CSCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190768646 328231408 /nfs/dbraw/zinc/23/14/08/328231408.db2.gz AVXGXYMOZDNDDC-OAHLLOKOSA-N 1 2 358.467 2.376 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cn1 ZINC000190810459 328233939 /nfs/dbraw/zinc/23/39/39/328233939.db2.gz GJWHUQOGQBJJSR-WMZOPIPTSA-N 1 2 365.861 2.370 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cn1 ZINC000190810459 328233940 /nfs/dbraw/zinc/23/39/40/328233940.db2.gz GJWHUQOGQBJJSR-WMZOPIPTSA-N 1 2 365.861 2.370 10 0 FEAELO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1nnnn1CC(F)(F)F)c1ccccc1 ZINC000190920159 328240128 /nfs/dbraw/zinc/24/01/28/328240128.db2.gz JBIIVYICLAQQPE-UONOGXRCSA-N 1 2 355.364 2.324 10 0 FEAELO O[C@H](C[C@@H]1CCC[N@H+]1Cc1nnnn1CC(F)(F)F)c1ccccc1 ZINC000190920159 328240129 /nfs/dbraw/zinc/24/01/29/328240129.db2.gz JBIIVYICLAQQPE-UONOGXRCSA-N 1 2 355.364 2.324 10 0 FEAELO CCCCNC(=O)[C@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191982735 328291810 /nfs/dbraw/zinc/29/18/10/328291810.db2.gz PMAIRYRHGDKWBF-HNNXBMFYSA-N 1 2 355.523 2.029 10 0 FEAELO CCCCNC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191982735 328291811 /nfs/dbraw/zinc/29/18/11/328291811.db2.gz PMAIRYRHGDKWBF-HNNXBMFYSA-N 1 2 355.523 2.029 10 0 FEAELO COc1ccc(Cl)c(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000191999204 328292864 /nfs/dbraw/zinc/29/28/64/328292864.db2.gz DTIHHHIADQJPJC-UHFFFAOYSA-N 1 2 358.833 2.109 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000192039203 328296087 /nfs/dbraw/zinc/29/60/87/328296087.db2.gz BAYVZCFNXKVWHC-YFVAEKQCSA-N 1 2 362.514 2.233 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O ZINC000192039203 328296088 /nfs/dbraw/zinc/29/60/88/328296088.db2.gz BAYVZCFNXKVWHC-YFVAEKQCSA-N 1 2 362.514 2.233 10 0 FEAELO Cc1nc(C[C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)no1 ZINC000192571060 328326536 /nfs/dbraw/zinc/32/65/36/328326536.db2.gz CLTGTDIWVHUSLS-CQSZACIVSA-N 1 2 367.446 2.246 10 0 FEAELO Cc1nc(C[C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)no1 ZINC000192571060 328326537 /nfs/dbraw/zinc/32/65/37/328326537.db2.gz CLTGTDIWVHUSLS-CQSZACIVSA-N 1 2 367.446 2.246 10 0 FEAELO CC1(C)Cc2cccc(S(=O)(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2O1 ZINC000192644324 328330416 /nfs/dbraw/zinc/33/04/16/328330416.db2.gz OKKWPZYDCNFTQW-HNNXBMFYSA-N 1 2 373.478 2.352 10 0 FEAELO Cc1cc(=O)[nH]c([C@@H](C)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192813790 328341456 /nfs/dbraw/zinc/34/14/56/328341456.db2.gz FQVMUWJSLBDQLG-CQSZACIVSA-N 1 2 364.490 2.290 10 0 FEAELO Cc1cc(=O)[nH]c([C@@H](C)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192813790 328341459 /nfs/dbraw/zinc/34/14/59/328341459.db2.gz FQVMUWJSLBDQLG-CQSZACIVSA-N 1 2 364.490 2.290 10 0 FEAELO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192813790 328341460 /nfs/dbraw/zinc/34/14/60/328341460.db2.gz FQVMUWJSLBDQLG-CQSZACIVSA-N 1 2 364.490 2.290 10 0 FEAELO COc1ccccc1Nc1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000192916920 328346615 /nfs/dbraw/zinc/34/66/15/328346615.db2.gz IIQAFAWOBAINSN-HNNXBMFYSA-N 1 2 355.438 2.499 10 0 FEAELO COc1ccccc1Nc1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000192916920 328346617 /nfs/dbraw/zinc/34/66/17/328346617.db2.gz IIQAFAWOBAINSN-HNNXBMFYSA-N 1 2 355.438 2.499 10 0 FEAELO CC(C)(C)c1csc([C@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)n1 ZINC000193276377 328366579 /nfs/dbraw/zinc/36/65/79/328366579.db2.gz GOKWMLHBMRYWJR-CYBMUJFWSA-N 1 2 363.487 2.420 10 0 FEAELO Cc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCCO2)[NH+]2CCOCC2)c1 ZINC000049080554 324679511 /nfs/dbraw/zinc/67/95/11/324679511.db2.gz GTBUYLCJTXAGTI-NEWSRXKRSA-N 1 2 361.486 2.235 10 0 FEAELO CC(=O)N1CCC(CCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000079728898 325103810 /nfs/dbraw/zinc/10/38/10/325103810.db2.gz UEYGYLJBUJXOMR-UHFFFAOYSA-N 1 2 373.497 2.496 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000083713883 325222877 /nfs/dbraw/zinc/22/28/77/325222877.db2.gz FWUPTVHWAJPYJD-OAHLLOKOSA-N 1 2 351.414 2.107 10 0 FEAELO CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000101995357 325484875 /nfs/dbraw/zinc/48/48/75/325484875.db2.gz SUWCDQGOPAKKRL-KRWDZBQOSA-N 1 2 369.469 2.463 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)[NH+]1CCOCC1 ZINC000103305022 325513769 /nfs/dbraw/zinc/51/37/69/325513769.db2.gz AXZNKLLPJLIFHF-LPHOPBHVSA-N 1 2 354.454 2.191 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)n1 ZINC000106137350 325585504 /nfs/dbraw/zinc/58/55/04/325585504.db2.gz VLJYBEZOFJBUQU-SWLSCSKDSA-N 1 2 366.412 2.322 10 0 FEAELO Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)on1 ZINC000106144806 325586313 /nfs/dbraw/zinc/58/63/13/325586313.db2.gz DFBIFMIZAJQIGW-OAHLLOKOSA-N 1 2 374.489 2.079 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000107075754 325619358 /nfs/dbraw/zinc/61/93/58/325619358.db2.gz LKLBEZIJSIAKEV-CQSZACIVSA-N 1 2 361.467 2.357 10 0 FEAELO Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000110890450 325695265 /nfs/dbraw/zinc/69/52/65/325695265.db2.gz KEUSIJBUOXEWSK-CQSZACIVSA-N 1 2 366.425 2.083 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)CCCNC(=O)C(C)(C)C)CC2)s1 ZINC000110944888 325697131 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Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)s1 ZINC000132168488 326588318 /nfs/dbraw/zinc/58/83/18/326588318.db2.gz KBLCKNLFHGSYAC-CQSZACIVSA-N 1 2 372.585 2.127 10 0 FEAELO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000156580850 326836836 /nfs/dbraw/zinc/83/68/36/326836836.db2.gz ZZVJBDOJQYOFGV-ZIAGYGMSSA-N 1 2 361.467 2.365 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000171288743 327130149 /nfs/dbraw/zinc/13/01/49/327130149.db2.gz CDBQLBUWWJPZAC-INIZCTEOSA-N 1 2 362.433 2.357 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000171288743 327130151 /nfs/dbraw/zinc/13/01/51/327130151.db2.gz CDBQLBUWWJPZAC-INIZCTEOSA-N 1 2 362.433 2.357 10 0 FEAELO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171412159 327137872 /nfs/dbraw/zinc/13/78/72/327137872.db2.gz NVKPUZFEYMBVAL-GOSISDBHSA-N 1 2 369.469 2.334 10 0 FEAELO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171412159 327137874 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Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(N)nc(Cl)c3)CC2)cs1 ZINC000171815877 327163533 /nfs/dbraw/zinc/16/35/33/327163533.db2.gz PZNBNKOKXHUTEH-UHFFFAOYSA-N 1 2 365.890 2.430 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCO3)CC1 ZINC000172109106 327181286 /nfs/dbraw/zinc/18/12/86/327181286.db2.gz LQUFVKVEBKPHGA-UHFFFAOYSA-N 1 2 369.469 2.322 10 0 FEAELO O=C(Cc1cn2ccccc2[nH+]1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172389655 327199290 /nfs/dbraw/zinc/19/92/90/327199290.db2.gz WRXYCZCAWJGHHS-UHFFFAOYSA-N 1 2 361.405 2.367 10 0 FEAELO Cc1ncsc1CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000172535937 327206602 /nfs/dbraw/zinc/20/66/02/327206602.db2.gz XFVUPYMQENSHFN-QGZVFWFLSA-N 1 2 361.511 2.052 10 0 FEAELO O=C(CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000172741939 327216132 /nfs/dbraw/zinc/21/61/32/327216132.db2.gz LXDKYOKOYUCYRW-FQEVSTJZSA-N 1 2 370.493 2.461 10 0 FEAELO O=C(Cc1ccc(F)c(Br)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743760 327216440 /nfs/dbraw/zinc/21/64/40/327216440.db2.gz AXZYOMIRNOKALO-ZDUSSCGKSA-N 1 2 371.250 2.064 10 0 FEAELO O=C(CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000172742621 327216482 /nfs/dbraw/zinc/21/64/82/327216482.db2.gz BKJATWFKOLJREI-MRXNPFEDSA-N 1 2 350.846 2.236 10 0 FEAELO O=C(CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc2c(c1)CCC2 ZINC000172751392 327216909 /nfs/dbraw/zinc/21/69/09/327216909.db2.gz HEFABZAIBYVMDE-LJQANCHMSA-N 1 2 356.466 2.071 10 0 FEAELO O=C(CCc1cccc(Br)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754649 327217171 /nfs/dbraw/zinc/21/71/71/327217171.db2.gz BJQAQUPXFOLXSQ-MRXNPFEDSA-N 1 2 367.287 2.315 10 0 FEAELO O=C(c1ccnc(OCc2ccccc2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767861 327217957 /nfs/dbraw/zinc/21/79/57/327217957.db2.gz ZXFCAJWHMLWPSY-LJQANCHMSA-N 1 2 367.449 2.207 10 0 FEAELO CC(C)N1CC[C@@H](NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000173248463 327244044 /nfs/dbraw/zinc/24/40/44/327244044.db2.gz BAXAFGRBFCMYPA-RHSMWYFYSA-N 1 2 355.442 2.242 10 0 FEAELO COC(=O)[C@@H](c1ccccc1F)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000173335778 327250422 /nfs/dbraw/zinc/25/04/22/327250422.db2.gz LFBCKVZSKYACBS-LJQANCHMSA-N 1 2 374.460 2.208 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Oc2ccc(C)cc2)nc[nH+]1 ZINC000173414040 327254511 /nfs/dbraw/zinc/25/45/11/327254511.db2.gz CTDBJQMDRKRDSI-JKSUJKDBSA-N 1 2 369.469 2.379 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Oc2ccc(C)cc2)[nH+]cn1 ZINC000173414040 327254512 /nfs/dbraw/zinc/25/45/12/327254512.db2.gz CTDBJQMDRKRDSI-JKSUJKDBSA-N 1 2 369.469 2.379 10 0 FEAELO Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173417684 327254913 /nfs/dbraw/zinc/25/49/13/327254913.db2.gz FPIZCCGAFWOJRM-WMLDXEAASA-N 1 2 355.438 2.443 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2cccc(F)c2)nc[nH+]1 ZINC000173541187 327265182 /nfs/dbraw/zinc/26/51/82/327265182.db2.gz AHEGECXQSURHSI-INIZCTEOSA-N 1 2 372.448 2.168 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCCc2cccc(F)c2)[nH+]cn1 ZINC000173541187 327265183 /nfs/dbraw/zinc/26/51/83/327265183.db2.gz AHEGECXQSURHSI-INIZCTEOSA-N 1 2 372.448 2.168 10 0 FEAELO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2)n1 ZINC000173809977 327285741 /nfs/dbraw/zinc/28/57/41/327285741.db2.gz YQMYQLUFYTVYBJ-IBGZPJMESA-N 1 2 369.469 2.428 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(Br)cs2)C[C@H]1[NH+]1CCOCC1 ZINC000173819186 327286231 /nfs/dbraw/zinc/28/62/31/327286231.db2.gz CLJGKICUJOIUEU-CMPLNLGQSA-N 1 2 359.289 2.303 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(Br)cs2)C[C@@H]1[NH+]1CCOCC1 ZINC000173819147 327286443 /nfs/dbraw/zinc/28/64/43/327286443.db2.gz CLJGKICUJOIUEU-PWSUYJOCSA-N 1 2 359.289 2.303 10 0 FEAELO C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173842173 327288302 /nfs/dbraw/zinc/28/83/02/327288302.db2.gz OHFHDSZNVBWCMY-WMLDXEAASA-N 1 2 350.434 2.162 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173872328 327290349 /nfs/dbraw/zinc/29/03/49/327290349.db2.gz FANDLVKKHGSXEU-ABAIWWIYSA-N 1 2 371.250 2.381 10 0 FEAELO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)cc2)n1 ZINC000173874836 327290632 /nfs/dbraw/zinc/29/06/32/327290632.db2.gz UWPQBAXTGVTMCK-MGPUTAFESA-N 1 2 368.481 2.282 10 0 FEAELO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)cc2)n1 ZINC000173874865 327290706 /nfs/dbraw/zinc/29/07/06/327290706.db2.gz UWPQBAXTGVTMCK-YWZLYKJASA-N 1 2 368.481 2.282 10 0 FEAELO O=C(NCc1csc(-c2ccccc2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173909979 327293777 /nfs/dbraw/zinc/29/37/77/327293777.db2.gz GVPDKQBOWMFNHA-QGZVFWFLSA-N 1 2 372.494 2.426 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173961036 327298291 /nfs/dbraw/zinc/29/82/91/327298291.db2.gz XMCDXEFUTWKRQT-HKUYNNGSSA-N 1 2 372.513 2.111 10 0 FEAELO C[C@@H]1CN(C(=O)CSc2nc3ccccc3o2)C[C@H]1[NH+]1CCOCC1 ZINC000173971786 327298749 /nfs/dbraw/zinc/29/87/49/327298749.db2.gz HCMRCPUEIVWPOY-UKRRQHHQSA-N 1 2 361.467 2.099 10 0 FEAELO CN(C)C(=O)c1ccc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)nc1 ZINC000175042879 327370378 /nfs/dbraw/zinc/37/03/78/327370378.db2.gz HABPSTUDKFFFOD-MRXNPFEDSA-N 1 2 374.510 2.355 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCC(C)(C)CCO)c2cccs2)CCO1 ZINC000175055776 327371086 /nfs/dbraw/zinc/37/10/86/327371086.db2.gz DTMONRFSKCJBMB-GJZGRUSLSA-N 1 2 369.531 2.218 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCC(C)(C)CCO)c2cccs2)CCO1 ZINC000175055776 327371088 /nfs/dbraw/zinc/37/10/88/327371088.db2.gz DTMONRFSKCJBMB-GJZGRUSLSA-N 1 2 369.531 2.218 10 0 FEAELO Cc1nc(C[C@H]2CCCN(C(=O)NCc3[nH+]ccn3CC(C)C)C2)no1 ZINC000175474899 327394881 /nfs/dbraw/zinc/39/48/81/327394881.db2.gz BXJGSSVKBOLMHW-OAHLLOKOSA-N 1 2 360.462 2.395 10 0 FEAELO CCCN(CC)c1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000247012703 328662453 /nfs/dbraw/zinc/66/24/53/328662453.db2.gz OSYKPTABGUHIHY-AEFFLSMTSA-N 1 2 360.502 2.111 10 0 FEAELO C[C@@H]1OCCC[C@@H]1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000249429290 328769298 /nfs/dbraw/zinc/76/92/98/328769298.db2.gz IHXGGFRTEKNERY-HRCADAONSA-N 1 2 352.500 2.395 10 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0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000248724370 549492096 /nfs/dbraw/zinc/49/20/96/549492096.db2.gz HNSCISVGNKZCPO-CABCVRRESA-N 1 2 353.825 2.137 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000248724370 549492099 /nfs/dbraw/zinc/49/20/99/549492099.db2.gz HNSCISVGNKZCPO-CABCVRRESA-N 1 2 353.825 2.137 10 0 FEAELO Cc1ccc([C@H](CNC(=O)[C@H]2CCOC[C@H]2C)[NH+]2CCOCC2)s1 ZINC000248738180 549493975 /nfs/dbraw/zinc/49/39/75/549493975.db2.gz CJVUGXPMMNRUJA-KBMXLJTQSA-N 1 2 352.500 2.219 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](Cc3ccc(O[C@H](C)C(=O)OC)cc3)CCO2)cn1 ZINC000248847978 549512861 /nfs/dbraw/zinc/51/28/61/549512861.db2.gz NOMQZEWYJDWJQW-BEFAXECRSA-N 1 2 373.453 2.417 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(O[C@H](C)C(=O)OC)cc3)CCO2)cn1 ZINC000248847978 549512863 /nfs/dbraw/zinc/51/28/63/549512863.db2.gz NOMQZEWYJDWJQW-BEFAXECRSA-N 1 2 373.453 2.417 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000248849765 549513762 /nfs/dbraw/zinc/51/37/62/549513762.db2.gz BAYVZCFNXKVWHC-QFUCXCTJSA-N 1 2 362.514 2.233 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000248849765 549513764 /nfs/dbraw/zinc/51/37/64/549513764.db2.gz BAYVZCFNXKVWHC-QFUCXCTJSA-N 1 2 362.514 2.233 10 0 FEAELO Cc1cc(=O)[nH]cc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000253552668 549695507 /nfs/dbraw/zinc/69/55/07/549695507.db2.gz JJWYROAXUCOGFU-DZGCQCFKSA-N 1 2 361.467 2.349 10 0 FEAELO Cc1cc(=O)[nH]cc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000253552668 549695508 /nfs/dbraw/zinc/69/55/08/549695508.db2.gz JJWYROAXUCOGFU-DZGCQCFKSA-N 1 2 361.467 2.349 10 0 FEAELO O=C(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)Nc1ccc(Cl)cc1 ZINC000261445350 549731357 /nfs/dbraw/zinc/73/13/57/549731357.db2.gz JZYCTPCXDLAZSF-CQSZACIVSA-N 1 2 361.833 2.142 10 0 FEAELO O=C(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Nc1ccc(Cl)cc1 ZINC000261445350 549731361 /nfs/dbraw/zinc/73/13/61/549731361.db2.gz JZYCTPCXDLAZSF-CQSZACIVSA-N 1 2 361.833 2.142 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000263515162 549907079 /nfs/dbraw/zinc/90/70/79/549907079.db2.gz OMAGTEXUMJSGJE-UHFFFAOYSA-N 1 2 372.368 2.044 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000263515162 549907081 /nfs/dbraw/zinc/90/70/81/549907081.db2.gz OMAGTEXUMJSGJE-UHFFFAOYSA-N 1 2 372.368 2.044 10 0 FEAELO CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301581589 553663412 /nfs/dbraw/zinc/66/34/12/553663412.db2.gz UVICOWMDZFALPT-IBVPZYMJSA-N 1 2 366.531 2.177 10 0 FEAELO CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301581589 553663413 /nfs/dbraw/zinc/66/34/13/553663413.db2.gz UVICOWMDZFALPT-IBVPZYMJSA-N 1 2 366.531 2.177 10 0 FEAELO C[C@@H]1CCN(c2nc(N3CC[C@H](C)[C@@H](O)C3)c3ccccc3[nH+]2)C[C@H]1O ZINC000301959117 553694726 /nfs/dbraw/zinc/69/47/26/553694726.db2.gz OPWJOBPSGSICEB-IHETXDGRSA-N 1 2 356.470 2.044 10 0 FEAELO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCc2c(C(N)=O)cnn2C1 ZINC000328630457 553799285 /nfs/dbraw/zinc/79/92/85/553799285.db2.gz PWPSSMPOQYPZGK-LLVKDONJSA-N 1 2 368.445 2.336 10 0 FEAELO CN(C)c1ccc(N[C@H]2CCCN(c3ncnc4n[nH]cc43)CC2)c[nH+]1 ZINC000328636299 553800246 /nfs/dbraw/zinc/80/02/46/553800246.db2.gz NZUOKHRREGGKSE-ZDUSSCGKSA-N 1 2 352.446 2.285 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC000072824313 670498014 /nfs/dbraw/zinc/49/80/14/670498014.db2.gz WNMWJFKWNBPIFS-HNNXBMFYSA-N 1 2 351.491 2.280 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC000072824313 670498016 /nfs/dbraw/zinc/49/80/16/670498016.db2.gz WNMWJFKWNBPIFS-HNNXBMFYSA-N 1 2 351.491 2.280 10 0 FEAELO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)c1 ZINC000106223217 670810031 /nfs/dbraw/zinc/81/00/31/670810031.db2.gz RWSKWXDMSNYIGR-STQMWFEESA-N 1 2 361.471 2.016 10 0 FEAELO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)c1 ZINC000106223217 670810035 /nfs/dbraw/zinc/81/00/35/670810035.db2.gz RWSKWXDMSNYIGR-STQMWFEESA-N 1 2 361.471 2.016 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@@H]1C ZINC000117369176 670915529 /nfs/dbraw/zinc/91/55/29/670915529.db2.gz JPSZMPSVWQKOCN-INIZCTEOSA-N 1 2 364.511 2.346 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@@H]1C ZINC000117369176 670915535 /nfs/dbraw/zinc/91/55/35/670915535.db2.gz JPSZMPSVWQKOCN-INIZCTEOSA-N 1 2 364.511 2.346 10 0 FEAELO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000121421334 671948957 /nfs/dbraw/zinc/94/89/57/671948957.db2.gz YMHFNABUHHFCSO-OAHLLOKOSA-N 1 2 361.467 2.208 10 0 FEAELO O=C(CSCC(F)(F)F)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000127009004 672031381 /nfs/dbraw/zinc/03/13/81/672031381.db2.gz REMIZXCZAWUIFQ-CQSZACIVSA-N 1 2 362.417 2.160 10 0 FEAELO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000159469511 672282440 /nfs/dbraw/zinc/28/24/40/672282440.db2.gz RIYKEPMDXLKKDT-NTEUORMPSA-N 1 2 352.500 2.277 10 0 FEAELO CC(C)n1nnnc1C[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587672 672333839 /nfs/dbraw/zinc/33/38/39/672333839.db2.gz BZMXPFHZMADZJF-ZDUSSCGKSA-N 1 2 352.483 2.379 10 0 FEAELO COCCN1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1=O ZINC000190761311 672649076 /nfs/dbraw/zinc/64/90/76/672649076.db2.gz GOMWMCJSISUCJA-MRXNPFEDSA-N 1 2 365.861 2.014 10 0 FEAELO COCCN1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1=O ZINC000190761311 672649080 /nfs/dbraw/zinc/64/90/80/672649080.db2.gz GOMWMCJSISUCJA-MRXNPFEDSA-N 1 2 365.861 2.014 10 0 FEAELO CCOc1ccc(-c2nc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC000194620727 672764464 /nfs/dbraw/zinc/76/44/64/672764464.db2.gz CNRGFMNAKLTLCI-OAHLLOKOSA-N 1 2 361.467 2.269 10 0 FEAELO CCOc1ccc(-c2nc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC000194620727 672764467 /nfs/dbraw/zinc/76/44/67/672764467.db2.gz CNRGFMNAKLTLCI-OAHLLOKOSA-N 1 2 361.467 2.269 10 0 FEAELO O=C(NC1CC1)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCO3)n1 ZINC000328641610 210121203 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C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000052649052 540479730 /nfs/dbraw/zinc/47/97/30/540479730.db2.gz UTUYQHJWNPNQGW-AWEZNQCLSA-N 1 2 373.478 2.396 10 0 FEAELO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000073715352 541990041 /nfs/dbraw/zinc/99/00/41/541990041.db2.gz FPHCBPLGCZNWRK-KRWDZBQOSA-N 1 2 373.501 2.093 10 0 FEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000077366145 542373652 /nfs/dbraw/zinc/37/36/52/542373652.db2.gz QVLLWASWHPLBFD-STQMWFEESA-N 1 2 360.376 2.310 10 0 FEAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000077367055 542374072 /nfs/dbraw/zinc/37/40/72/542374072.db2.gz QQDPRKPHUOQPHV-CHWSQXEVSA-N 1 2 360.376 2.310 10 0 FEAELO Cn1c[nH+]c2c1CN(CC(=O)NCc1cccc(C(F)(F)F)c1)CC2 ZINC000065293020 221196770 /nfs/dbraw/zinc/19/67/70/221196770.db2.gz FVLMYDQBUAXAKD-UHFFFAOYSA-N 1 2 352.360 2.113 10 0 FEAELO COc1ccc(Cl)cc1CN(C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079252212 542508286 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ZINC000190525933 328213771 /nfs/dbraw/zinc/21/37/71/328213771.db2.gz WMKOZKVTXKTFGS-YLJYHZDGSA-N 1 2 363.502 2.080 10 0 FEAELO O=C(Nc1cc(F)ccc1Cl)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190752360 328230368 /nfs/dbraw/zinc/23/03/68/328230368.db2.gz OIHANHZJTNNIGL-GFCCVEGCSA-N 1 2 350.781 2.305 10 0 FEAELO COc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(OCCC(C)C)c1 ZINC000190746545 328229789 /nfs/dbraw/zinc/22/97/89/328229789.db2.gz RFFIHBBOKMOKMZ-MRXNPFEDSA-N 1 2 350.459 2.181 10 0 FEAELO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(OCCC(C)C)c1 ZINC000190746545 328229791 /nfs/dbraw/zinc/22/97/91/328229791.db2.gz RFFIHBBOKMOKMZ-MRXNPFEDSA-N 1 2 350.459 2.181 10 0 FEAELO C[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)[NH+]1CCOCC1 ZINC000190978811 328243321 /nfs/dbraw/zinc/24/33/21/328243321.db2.gz MXRBRYFIFANXHG-CHWSQXEVSA-N 1 2 351.413 2.327 10 0 FEAELO CC(=O)NC1C[NH+](C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC000191728874 328278960 /nfs/dbraw/zinc/27/89/60/328278960.db2.gz AOIRDZMIZFWPDC-RBBKRZOGSA-N 1 2 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ZINC000192041175 328296179 /nfs/dbraw/zinc/29/61/79/328296179.db2.gz BROKXARHKGCYPN-NSHDSACASA-N 1 2 361.305 2.348 10 0 FEAELO O=C([C@@H]1CCCc2cccnc21)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000192529827 328323989 /nfs/dbraw/zinc/32/39/89/328323989.db2.gz NRRKILBQQKWRSP-WOJBJXKFSA-N 1 2 365.477 2.379 10 0 FEAELO O=S(=O)(CC[N@@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccc(F)cc1 ZINC000192626345 328329263 /nfs/dbraw/zinc/32/92/63/328329263.db2.gz XVEMXCAAQMCZDA-MRXNPFEDSA-N 1 2 350.415 2.148 10 0 FEAELO O=S(=O)(CC[N@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccc(F)cc1 ZINC000192626345 328329265 /nfs/dbraw/zinc/32/92/65/328329265.db2.gz XVEMXCAAQMCZDA-MRXNPFEDSA-N 1 2 350.415 2.148 10 0 FEAELO CC(C)OCCCNC(=O)C1CC[NH+](Cc2nnc(C(C)C)n2C)CC1 ZINC000195431319 328476966 /nfs/dbraw/zinc/47/69/66/328476966.db2.gz QZZWJGSWTQKRLW-UHFFFAOYSA-N 1 2 365.522 2.082 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000081646961 325191241 /nfs/dbraw/zinc/19/12/41/325191241.db2.gz LYCQZAUCMUVJLS-MRXNPFEDSA-N 1 2 372.494 2.126 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000081646961 325191244 /nfs/dbraw/zinc/19/12/44/325191244.db2.gz LYCQZAUCMUVJLS-MRXNPFEDSA-N 1 2 372.494 2.126 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000083066972 325212823 /nfs/dbraw/zinc/21/28/23/325212823.db2.gz HHQNJHYTFPXCII-LLVKDONJSA-N 1 2 355.847 2.498 10 0 FEAELO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080610 325577577 /nfs/dbraw/zinc/57/75/77/325577577.db2.gz HAFGQXVHGIDXJT-AWEZNQCLSA-N 1 2 350.430 2.090 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)n1 ZINC000106138150 325585605 /nfs/dbraw/zinc/58/56/05/325585605.db2.gz VELGAMQYORNYBL-CQSZACIVSA-N 1 2 358.442 2.297 10 0 FEAELO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC[C@H](n2cccn2)C1 ZINC000110686858 325691155 /nfs/dbraw/zinc/69/11/55/325691155.db2.gz SSRTYFUSOJTLQC-IBGZPJMESA-N 1 2 354.454 2.193 10 0 FEAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245512643 328554723 /nfs/dbraw/zinc/55/47/23/328554723.db2.gz NVXDTNCDOJVQCF-XHSDSOJGSA-N 1 2 374.485 2.470 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCCOC[C@@H]1CCCO1)C2 ZINC000112741334 325804156 /nfs/dbraw/zinc/80/41/56/325804156.db2.gz KKUOSHUMRVTGQA-HNNXBMFYSA-N 1 2 364.490 2.197 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CSCCC(C)C)CC1 ZINC000115387808 325954718 /nfs/dbraw/zinc/95/47/18/325954718.db2.gz QNSIUZZGTUJQDR-UHFFFAOYSA-N 1 2 352.548 2.460 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](Cc3ccc(C(=O)OC)s3)CC2)n1 ZINC000118992061 326116583 /nfs/dbraw/zinc/11/65/83/326116583.db2.gz GCZWQMQWEKSXHV-LBPRGKRZSA-N 1 2 364.471 2.359 10 0 FEAELO COC[C@@H](NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000120096383 326229671 /nfs/dbraw/zinc/22/96/71/326229671.db2.gz WBGFIDWSIXTXJB-HZPDHXFCSA-N 1 2 367.515 2.188 10 0 FEAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000120140274 326234011 /nfs/dbraw/zinc/23/40/11/326234011.db2.gz GSKDIDLLGUPBKD-MRXNPFEDSA-N 1 2 355.438 2.215 10 0 FEAELO O=C(c1c[nH]nc1-c1ccccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000120890190 326296654 /nfs/dbraw/zinc/29/66/54/326296654.db2.gz NDUJKZSDXRMEJY-CYBMUJFWSA-N 1 2 360.845 2.277 10 0 FEAELO Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000121003333 326305679 /nfs/dbraw/zinc/30/56/79/326305679.db2.gz YZWXZQWGRCKDAC-CQSZACIVSA-N 1 2 368.403 2.499 10 0 FEAELO COCCOc1cccc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)c1 ZINC000121261556 326325962 /nfs/dbraw/zinc/32/59/62/326325962.db2.gz VOYDQTAJMMKJLX-OAHLLOKOSA-N 1 2 360.458 2.282 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCO[C@@H](C)CC(C)C)nc[nH+]1 ZINC000121380286 326334025 /nfs/dbraw/zinc/33/40/25/326334025.db2.gz UDCSOCJHOSXAIA-HOTGVXAUSA-N 1 2 363.506 2.445 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCO[C@@H](C)CC(C)C)[nH+]cn1 ZINC000121380286 326334027 /nfs/dbraw/zinc/33/40/27/326334027.db2.gz UDCSOCJHOSXAIA-HOTGVXAUSA-N 1 2 363.506 2.445 10 0 FEAELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000121501782 326343256 /nfs/dbraw/zinc/34/32/56/326343256.db2.gz DZLRGNNUMHASSF-JKSUJKDBSA-N 1 2 361.467 2.124 10 0 FEAELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000121501782 326343258 /nfs/dbraw/zinc/34/32/58/326343258.db2.gz DZLRGNNUMHASSF-JKSUJKDBSA-N 1 2 361.467 2.124 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000134521565 326627043 /nfs/dbraw/zinc/62/70/43/326627043.db2.gz DECGIGDYDUIYAG-UHFFFAOYSA-N 1 2 368.365 2.346 10 0 FEAELO COC(=O)c1ccc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)cc1F ZINC000151066365 326674102 /nfs/dbraw/zinc/67/41/02/326674102.db2.gz SRKQLYGEJDCFHK-GFCCVEGCSA-N 1 2 362.405 2.183 10 0 FEAELO CCn1cnnc1C1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000152182547 326700905 /nfs/dbraw/zinc/70/09/05/326700905.db2.gz FLKSWWBSKBZKPY-CYBMUJFWSA-N 1 2 352.442 2.475 10 0 FEAELO CN(C(=O)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1)C1CC1 ZINC000152908401 326719350 /nfs/dbraw/zinc/71/93/50/326719350.db2.gz KOFWTGLFCZIUQT-UHFFFAOYSA-N 1 2 354.454 2.080 10 0 FEAELO COc1cc(OC)cc([C@H](NC(=O)C[C@@H](O)C(C)C)c2[nH+]ccn2C)c1 ZINC000154776310 326768808 /nfs/dbraw/zinc/76/88/08/326768808.db2.gz ITARXDRKVGDKRU-AEFFLSMTSA-N 1 2 361.442 2.050 10 0 FEAELO Cn1nccc1C1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000155806781 326805815 /nfs/dbraw/zinc/80/58/15/326805815.db2.gz LMMGGEKQIUIFCU-UHFFFAOYSA-N 1 2 352.442 2.200 10 0 FEAELO C[C@@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000158119821 326885719 /nfs/dbraw/zinc/88/57/19/326885719.db2.gz QSNTYGUGPYECPL-STQMWFEESA-N 1 2 355.276 2.390 10 0 FEAELO COCCC1(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000162182134 327018943 /nfs/dbraw/zinc/01/89/43/327018943.db2.gz GDLRJBBDRQBARK-CABCVRRESA-N 1 2 352.500 2.443 10 0 FEAELO COCCC1(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000162182134 327018944 /nfs/dbraw/zinc/01/89/44/327018944.db2.gz GDLRJBBDRQBARK-CABCVRRESA-N 1 2 352.500 2.443 10 0 FEAELO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000163784365 327058734 /nfs/dbraw/zinc/05/87/34/327058734.db2.gz XPJRDTFPDQXEEF-HNNXBMFYSA-N 1 2 374.872 2.381 10 0 FEAELO Cc1nc(-c2ccccc2)ncc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000164416705 327069719 /nfs/dbraw/zinc/06/97/19/327069719.db2.gz YKYXEGNPRRYKLI-HNAYVOBHSA-N 1 2 366.465 2.245 10 0 FEAELO Cn1cc(CN2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)cn1 ZINC000170944115 327109272 /nfs/dbraw/zinc/10/92/72/327109272.db2.gz ZLJLAAFBIIYTLK-UHFFFAOYSA-N 1 2 352.442 2.178 10 0 FEAELO Cn1cc(CN2CCC[N@@H+](Cc3nnc(-c4ccccc4)o3)CC2)cn1 ZINC000170944115 327109274 /nfs/dbraw/zinc/10/92/74/327109274.db2.gz ZLJLAAFBIIYTLK-UHFFFAOYSA-N 1 2 352.442 2.178 10 0 FEAELO Cn1cc([C@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000171456202 327140705 /nfs/dbraw/zinc/14/07/05/327140705.db2.gz KFBRXZJCTWVDRC-QGZVFWFLSA-N 1 2 354.458 2.462 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cnc(-c4ccco4)s3)CC2)cn1 ZINC000171817490 327163357 /nfs/dbraw/zinc/16/33/57/327163357.db2.gz BHGDPIGBGGZZFX-UHFFFAOYSA-N 1 2 371.466 2.485 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cnc(-c4ccco4)s3)CC2)cn1 ZINC000171817490 327163358 /nfs/dbraw/zinc/16/33/58/327163358.db2.gz BHGDPIGBGGZZFX-UHFFFAOYSA-N 1 2 371.466 2.485 10 0 FEAELO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172755979 327217137 /nfs/dbraw/zinc/21/71/37/327217137.db2.gz ZTBGHZCJFJXCES-UONOGXRCSA-N 1 2 372.387 2.406 10 0 FEAELO O=C(Cc1coc2cc3c(cc12)CCC3)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757870 327217460 /nfs/dbraw/zinc/21/74/60/327217460.db2.gz RSHKFANWQFSRQD-GOSISDBHSA-N 1 2 354.450 2.397 10 0 FEAELO COc1ccc(S[C@H](C)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000172763840 327217660 /nfs/dbraw/zinc/21/76/60/327217660.db2.gz XKUDWRCRXSGXQQ-HUUCEWRRSA-N 1 2 350.484 2.109 10 0 FEAELO CSc1ccc(O[C@H](C)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000172765214 327217877 /nfs/dbraw/zinc/21/78/77/327217877.db2.gz BROICJDLSHAWSH-CABCVRRESA-N 1 2 350.484 2.109 10 0 FEAELO C[C@@H](CNC(=O)[C@H](C)Oc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000173067933 327233534 /nfs/dbraw/zinc/23/35/34/327233534.db2.gz CRYSOWQEJMRLDA-STQMWFEESA-N 1 2 371.275 2.053 10 0 FEAELO C[C@H](CN1CCCC1=O)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173164913 327238377 /nfs/dbraw/zinc/23/83/77/327238377.db2.gz CIHYIZPEOCYECN-CABCVRRESA-N 1 2 355.442 2.243 10 0 FEAELO CCc1ccccc1OCC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173413786 327254735 /nfs/dbraw/zinc/25/47/35/327254735.db2.gz ZUCMUNJIQSMBPR-INIZCTEOSA-N 1 2 369.469 2.245 10 0 FEAELO CCc1ccccc1OCC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173413786 327254736 /nfs/dbraw/zinc/25/47/36/327254736.db2.gz ZUCMUNJIQSMBPR-INIZCTEOSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc3ncccc32)nc[nH+]1 ZINC000173425231 327255774 /nfs/dbraw/zinc/25/57/74/327255774.db2.gz KGSSMQALVHIYLA-CQSZACIVSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc3ncccc32)[nH+]cn1 ZINC000173425231 327255775 /nfs/dbraw/zinc/25/57/75/327255775.db2.gz KGSSMQALVHIYLA-CQSZACIVSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc(Cl)cc2)nc[nH+]1 ZINC000173443223 327257505 /nfs/dbraw/zinc/25/75/05/327257505.db2.gz QEQZHACCOLPHEA-OAHLLOKOSA-N 1 2 359.861 2.499 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccc(Cl)cc2)[nH+]cn1 ZINC000173443223 327257507 /nfs/dbraw/zinc/25/75/07/327257507.db2.gz QEQZHACCOLPHEA-OAHLLOKOSA-N 1 2 359.861 2.499 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Oc2cccc(C)c2)nc[nH+]1 ZINC000173443980 327257521 /nfs/dbraw/zinc/25/75/21/327257521.db2.gz BMTTUOGZWLBRRE-CVEARBPZSA-N 1 2 369.469 2.379 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Oc2cccc(C)c2)[nH+]cn1 ZINC000173443980 327257522 /nfs/dbraw/zinc/25/75/22/327257522.db2.gz BMTTUOGZWLBRRE-CVEARBPZSA-N 1 2 369.469 2.379 10 0 FEAELO CCS[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000173447671 327257850 /nfs/dbraw/zinc/25/78/50/327257850.db2.gz AGPZFCYIMAHUGY-CJNGLKHVSA-N 1 2 351.520 2.381 10 0 FEAELO CCS[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000173447671 327257851 /nfs/dbraw/zinc/25/78/51/327257851.db2.gz AGPZFCYIMAHUGY-CJNGLKHVSA-N 1 2 351.520 2.381 10 0 FEAELO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000173625279 327271802 /nfs/dbraw/zinc/27/18/02/327271802.db2.gz GPBUKWNDMZXLLU-QWHCGFSZSA-N 1 2 370.457 2.251 10 0 FEAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)Nc1ccccc1F ZINC000173630376 327272333 /nfs/dbraw/zinc/27/23/33/327272333.db2.gz MCFNHDQPKSERBO-RYUDHWBXSA-N 1 2 374.420 2.141 10 0 FEAELO Cc1nc([C@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CCO2)n[nH]1 ZINC000173682842 327276601 /nfs/dbraw/zinc/27/66/01/327276601.db2.gz JQKREKVYTPKDBV-OAHLLOKOSA-N 1 2 365.478 2.134 10 0 FEAELO Cc1nc([C@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CCO2)n[nH]1 ZINC000173682842 327276603 /nfs/dbraw/zinc/27/66/03/327276603.db2.gz JQKREKVYTPKDBV-OAHLLOKOSA-N 1 2 365.478 2.134 10 0 FEAELO Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)c12 ZINC000173827114 327286870 /nfs/dbraw/zinc/28/68/70/327286870.db2.gz ZBHZANYWCMOMBU-PXAZEXFGSA-N 1 2 370.453 2.201 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000173830869 327287526 /nfs/dbraw/zinc/28/75/26/327287526.db2.gz SWKQCMYGKBONHZ-KBXCAEBGSA-N 1 2 360.502 2.308 10 0 FEAELO Cc1ccc(-c2ocnc2C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173834576 327287742 /nfs/dbraw/zinc/28/77/42/327287742.db2.gz AXTXHIHVIMQWQZ-NVXWUHKLSA-N 1 2 355.438 2.443 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000173847363 327288486 /nfs/dbraw/zinc/28/84/86/327288486.db2.gz POXVCBVVNDTZTB-MMTVNHQJSA-N 1 2 350.409 2.247 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173847939 327288504 /nfs/dbraw/zinc/28/85/04/327288504.db2.gz CZXSLVMQZFEOKP-WFASDCNBSA-N 1 2 353.260 2.242 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173847929 327288509 /nfs/dbraw/zinc/28/85/09/327288509.db2.gz CZXSLVMQZFEOKP-DOMZBBRYSA-N 1 2 353.260 2.242 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173872032 327290295 /nfs/dbraw/zinc/29/02/95/327290295.db2.gz YFCHYMILQHPRLQ-IAQYHMDHSA-N 1 2 371.250 2.381 10 0 FEAELO C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173919536 327294517 /nfs/dbraw/zinc/29/45/17/327294517.db2.gz BWZJWSKJPHZJPE-KBPBESRZSA-N 1 2 352.394 2.461 10 0 FEAELO CC(C)C(=O)Nc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000173964792 327298108 /nfs/dbraw/zinc/29/81/08/327298108.db2.gz SUIISYOCCZXNOS-YJBOKZPZSA-N 1 2 359.470 2.074 10 0 FEAELO CC(C)NC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173970153 327298886 /nfs/dbraw/zinc/29/88/86/327298886.db2.gz NKVLAVWQRLAMLJ-CRAIPNDOSA-N 1 2 374.485 2.009 10 0 FEAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1cc(Cl)ccc1Cl ZINC000173987868 327299801 /nfs/dbraw/zinc/29/98/01/327299801.db2.gz FDJIGIBQPNUYCW-CYBMUJFWSA-N 1 2 358.269 2.338 10 0 FEAELO CO[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000175002697 327367296 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C[C@@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000177348562 327515826 /nfs/dbraw/zinc/51/58/26/327515826.db2.gz GRDGJQXMRAISDS-CZUORRHYSA-N 1 2 351.414 2.359 10 0 FEAELO O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177809091 327546356 /nfs/dbraw/zinc/54/63/56/327546356.db2.gz HXAUGXXMVLNATC-FUHWJXTLSA-N 1 2 373.501 2.238 10 0 FEAELO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263155723 328920660 /nfs/dbraw/zinc/92/06/60/328920660.db2.gz DJVWBIRGDJYCDK-WCQYABFASA-N 1 2 374.229 2.141 10 0 FEAELO COc1cc(N[C@@H]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263227164 328926751 /nfs/dbraw/zinc/92/67/51/328926751.db2.gz MYYKXQAZPUOJRK-MLGOLLRUSA-N 1 2 369.412 2.104 10 0 FEAELO COc1ncccc1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275758244 525036644 /nfs/dbraw/zinc/03/66/44/525036644.db2.gz WSSWPSCKHRYTID-HNNXBMFYSA-N 1 2 368.437 2.379 10 0 FEAELO C[C@H](CNC(=O)[C@H](C)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000158120212 545825232 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O=C(NCCc1ccc2c(c1)OCCO2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177345474 546597743 /nfs/dbraw/zinc/59/77/43/546597743.db2.gz HCMMEXMIFHOWQZ-MRXNPFEDSA-N 1 2 356.426 2.071 10 0 FEAELO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000177937936 546710458 /nfs/dbraw/zinc/71/04/58/546710458.db2.gz YSRNNFQCZGBLSS-QAPCUYQASA-N 1 2 356.470 2.163 10 0 FEAELO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C)O2)CC1 ZINC000177937936 546710463 /nfs/dbraw/zinc/71/04/63/546710463.db2.gz YSRNNFQCZGBLSS-QAPCUYQASA-N 1 2 356.470 2.163 10 0 FEAELO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000177937914 546711119 /nfs/dbraw/zinc/71/11/19/546711119.db2.gz YSRNNFQCZGBLSS-YJBOKZPZSA-N 1 2 356.470 2.163 10 0 FEAELO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000177937914 546711122 /nfs/dbraw/zinc/71/11/22/546711122.db2.gz YSRNNFQCZGBLSS-YJBOKZPZSA-N 1 2 356.470 2.163 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc(NC=O)cc1 ZINC000177968269 546714632 /nfs/dbraw/zinc/71/46/32/546714632.db2.gz OTYKOCIUKLUTCR-QGZVFWFLSA-N 1 2 373.478 2.462 10 0 FEAELO CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000178662042 546828153 /nfs/dbraw/zinc/82/81/53/546828153.db2.gz VITNDZOYJXOTDX-FGTMMUONSA-N 1 2 367.534 2.476 10 0 FEAELO CCCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000178662042 546828156 /nfs/dbraw/zinc/82/81/56/546828156.db2.gz VITNDZOYJXOTDX-FGTMMUONSA-N 1 2 367.534 2.476 10 0 FEAELO COc1c(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c(C)nn1C ZINC000179782917 547012394 /nfs/dbraw/zinc/01/23/94/547012394.db2.gz WCZQYCWSGGMOLJ-UHFFFAOYSA-N 1 2 355.442 2.217 10 0 FEAELO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181097289 547249808 /nfs/dbraw/zinc/24/98/08/547249808.db2.gz FPJOBVMHORJHFC-LBPRGKRZSA-N 1 2 365.384 2.439 10 0 FEAELO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181097289 547249809 /nfs/dbraw/zinc/24/98/09/547249809.db2.gz FPJOBVMHORJHFC-LBPRGKRZSA-N 1 2 365.384 2.439 10 0 FEAELO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nc(CS(C)(=O)=O)no2)cc1 ZINC000181406464 547309310 /nfs/dbraw/zinc/30/93/10/547309310.db2.gz GWLVFKQFXIKYDU-ZDUSSCGKSA-N 1 2 367.471 2.500 10 0 FEAELO CCOc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000182801188 547554119 /nfs/dbraw/zinc/55/41/19/547554119.db2.gz VVHSDLMLQXMJSU-UHFFFAOYSA-N 1 2 370.453 2.466 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000184267143 547797273 /nfs/dbraw/zinc/79/72/73/547797273.db2.gz GMKJOPFKSPUJSR-IBGZPJMESA-N 1 2 356.470 2.049 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000184267143 547797278 /nfs/dbraw/zinc/79/72/78/547797278.db2.gz GMKJOPFKSPUJSR-IBGZPJMESA-N 1 2 356.470 2.049 10 0 FEAELO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(-c2ccccc2)o1 ZINC000184995137 547914377 /nfs/dbraw/zinc/91/43/77/547914377.db2.gz WFOIXNLQWXAMPF-RHSMWYFYSA-N 1 2 355.438 2.443 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCCCCSC)nc[nH+]1 ZINC000185557265 548002378 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CCOCC[N@H+]1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC000187681953 548261640 /nfs/dbraw/zinc/26/16/40/548261640.db2.gz VXAGWVZIVKXCOU-HOTGVXAUSA-N 1 2 354.516 2.194 10 0 FEAELO Cc1ccc([C@H](CNC(=O)c2cccc3n[nH]nc32)[NH+]2CCOCC2)s1 ZINC000188286389 548276789 /nfs/dbraw/zinc/27/67/89/548276789.db2.gz OPQAXWLJEITBMJ-HNNXBMFYSA-N 1 2 371.466 2.131 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C[C@@H]1C ZINC000189630249 548305973 /nfs/dbraw/zinc/30/59/73/548305973.db2.gz YKTYEQOHWOOKJJ-ZDUSSCGKSA-N 1 2 369.462 2.038 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2c[nH]c3cccc(F)c32)C[C@@H]1C ZINC000189630249 548305980 /nfs/dbraw/zinc/30/59/80/548305980.db2.gz YKTYEQOHWOOKJJ-ZDUSSCGKSA-N 1 2 369.462 2.038 10 0 FEAELO c1coc(-c2ncc(C[NH+]3CCN(c4ccc5nncn5n4)CC3)s2)c1 ZINC000194383147 548473810 /nfs/dbraw/zinc/47/38/10/548473810.db2.gz NDVJSMCSSILAKP-UHFFFAOYSA-N 1 2 367.438 2.163 10 0 FEAELO C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000195279079 548611123 /nfs/dbraw/zinc/61/11/23/548611123.db2.gz HGMROINJNYSLGN-FQEVSTJZSA-N 1 2 368.481 2.083 10 0 FEAELO C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000195279079 548611126 /nfs/dbraw/zinc/61/11/26/548611126.db2.gz HGMROINJNYSLGN-FQEVSTJZSA-N 1 2 368.481 2.083 10 0 FEAELO C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000195279079 548611128 /nfs/dbraw/zinc/61/11/28/548611128.db2.gz HGMROINJNYSLGN-FQEVSTJZSA-N 1 2 368.481 2.083 10 0 FEAELO C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000195279079 548611132 /nfs/dbraw/zinc/61/11/32/548611132.db2.gz HGMROINJNYSLGN-FQEVSTJZSA-N 1 2 368.481 2.083 10 0 FEAELO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507678 548651758 /nfs/dbraw/zinc/65/17/58/548651758.db2.gz AMKCXIJVIOGXGT-GFCCVEGCSA-N 1 2 359.405 2.465 10 0 FEAELO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000245534711 548940821 /nfs/dbraw/zinc/94/08/21/548940821.db2.gz WHBYXCSAEGTISD-KSZLIROESA-N 1 2 353.507 2.086 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N[C@H]2CCCOCC2)c2cccs2)CCO1 ZINC000245622914 548959184 /nfs/dbraw/zinc/95/91/84/548959184.db2.gz QAHFPWCRKCBVOV-PMPSAXMXSA-N 1 2 367.515 2.378 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N[C@H]2CCCOCC2)c2cccs2)CCO1 ZINC000245622914 548959187 /nfs/dbraw/zinc/95/91/87/548959187.db2.gz QAHFPWCRKCBVOV-PMPSAXMXSA-N 1 2 367.515 2.378 10 0 FEAELO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2C[C@@H](O)COC2CCOCC2)o1 ZINC000245873745 549007731 /nfs/dbraw/zinc/00/77/31/549007731.db2.gz PWKQQLJUGRZIHE-IEBWSBKVSA-N 1 2 373.453 2.034 10 0 FEAELO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2C[C@@H](O)COC2CCOCC2)o1 ZINC000245873745 549007735 /nfs/dbraw/zinc/00/77/35/549007735.db2.gz PWKQQLJUGRZIHE-IEBWSBKVSA-N 1 2 373.453 2.034 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2C[C@H](C)OC[C@H]2C)c2cccs2)CCO1 ZINC000245932255 549022349 /nfs/dbraw/zinc/02/23/49/549022349.db2.gz ILGNLXIDCZIQTN-LVQVYYBASA-N 1 2 367.515 2.329 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2C[C@H](C)OC[C@H]2C)c2cccs2)CCO1 ZINC000245932255 549022351 /nfs/dbraw/zinc/02/23/51/549022351.db2.gz ILGNLXIDCZIQTN-LVQVYYBASA-N 1 2 367.515 2.329 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000246056264 549043764 /nfs/dbraw/zinc/04/37/64/549043764.db2.gz VMEPBINNMYCGGI-FUHWJXTLSA-N 1 2 374.872 2.454 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000246056264 549043766 /nfs/dbraw/zinc/04/37/66/549043766.db2.gz VMEPBINNMYCGGI-FUHWJXTLSA-N 1 2 374.872 2.454 10 0 FEAELO CCOCCN1CC[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000246278485 549095060 /nfs/dbraw/zinc/09/50/60/549095060.db2.gz HPJWDDDCCUALJI-QZTJIDSGSA-N 1 2 359.514 2.002 10 0 FEAELO CCOCCN1CC[N@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000246278485 549095063 /nfs/dbraw/zinc/09/50/63/549095063.db2.gz HPJWDDDCCUALJI-QZTJIDSGSA-N 1 2 359.514 2.002 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1N1CCOCC1 ZINC000246373359 549117634 /nfs/dbraw/zinc/11/76/34/549117634.db2.gz HNIFITFQQRTSMA-ZTFGCOKTSA-N 1 2 363.889 2.098 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1N1CCOCC1 ZINC000246373359 549117636 /nfs/dbraw/zinc/11/76/36/549117636.db2.gz HNIFITFQQRTSMA-ZTFGCOKTSA-N 1 2 363.889 2.098 10 0 FEAELO C[C@@H]1CN([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@H]1[NH+]1CCOCC1 ZINC000246373359 549117637 /nfs/dbraw/zinc/11/76/37/549117637.db2.gz HNIFITFQQRTSMA-ZTFGCOKTSA-N 1 2 363.889 2.098 10 0 FEAELO Cc1ccc2nc(NC(=O)CN3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)sc2c1 ZINC000246544428 549157543 /nfs/dbraw/zinc/15/75/43/549157543.db2.gz SXLPQTOZCDLFOD-HOCLYGCPSA-N 1 2 374.510 2.196 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@@H+]3C[C@H](N4CCOCC4)[C@@H](C)C3)sc2c1 ZINC000246544428 549157544 /nfs/dbraw/zinc/15/75/44/549157544.db2.gz SXLPQTOZCDLFOD-HOCLYGCPSA-N 1 2 374.510 2.196 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@H+]3C[C@H](N4CCOCC4)[C@@H](C)C3)sc2c1 ZINC000246544428 549157546 /nfs/dbraw/zinc/15/75/46/549157546.db2.gz SXLPQTOZCDLFOD-HOCLYGCPSA-N 1 2 374.510 2.196 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCO[C@H](C)[C@H]2C)c2cccs2)CCO1 ZINC000246760720 549206472 /nfs/dbraw/zinc/20/64/72/549206472.db2.gz HRTGVAIRFVVMGV-KLHDSHLOSA-N 1 2 367.515 2.329 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCO[C@H](C)[C@H]2C)c2cccs2)CCO1 ZINC000246760720 549206476 /nfs/dbraw/zinc/20/64/76/549206476.db2.gz HRTGVAIRFVVMGV-KLHDSHLOSA-N 1 2 367.515 2.329 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)C(=O)NCCC3=CCCCC3)CCO2)c1 ZINC000247736286 549375615 /nfs/dbraw/zinc/37/56/15/549375615.db2.gz MUXLSSKAVRFHNM-MJGOQNOKSA-N 1 2 360.502 2.288 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)C(=O)NCCC3=CCCCC3)CCO2)c1 ZINC000247736286 549375620 /nfs/dbraw/zinc/37/56/20/549375620.db2.gz MUXLSSKAVRFHNM-MJGOQNOKSA-N 1 2 360.502 2.288 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)C(=O)NC[C@H](C)c3ccccc3)CCO2)c1 ZINC000247739004 549375895 /nfs/dbraw/zinc/37/58/95/549375895.db2.gz NGRIFTNHZXBZKN-NSHGMRRFSA-N 1 2 370.497 2.201 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC[C@H](C)c3ccccc3)CCO2)c1 ZINC000247739004 549375900 /nfs/dbraw/zinc/37/59/00/549375900.db2.gz NGRIFTNHZXBZKN-NSHGMRRFSA-N 1 2 370.497 2.201 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)CCO2)n1 ZINC000247811585 549383708 /nfs/dbraw/zinc/38/37/08/549383708.db2.gz UZMWKYALVFWYOC-VQIMIIECSA-N 1 2 374.460 2.045 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)CCO2)n1 ZINC000247811585 549383712 /nfs/dbraw/zinc/38/37/12/549383712.db2.gz UZMWKYALVFWYOC-VQIMIIECSA-N 1 2 374.460 2.045 10 0 FEAELO O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248472685 549448083 /nfs/dbraw/zinc/44/80/83/549448083.db2.gz WINHSSRNRVTEAF-ZDUSSCGKSA-N 1 2 360.426 2.189 10 0 FEAELO O=S(=O)(c1ccc(OCC(F)F)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248472685 549448090 /nfs/dbraw/zinc/44/80/90/549448090.db2.gz WINHSSRNRVTEAF-ZDUSSCGKSA-N 1 2 360.426 2.189 10 0 FEAELO C[C@@H](c1nnnn1C1CC1)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000248903010 549525230 /nfs/dbraw/zinc/52/52/30/549525230.db2.gz VWUMRCFKOMROKQ-DZGCQCFKSA-N 1 2 362.503 2.136 10 0 FEAELO C[C@@H](c1nnnn1C1CC1)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248903010 549525233 /nfs/dbraw/zinc/52/52/33/549525233.db2.gz VWUMRCFKOMROKQ-DZGCQCFKSA-N 1 2 362.503 2.136 10 0 FEAELO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248903010 549525236 /nfs/dbraw/zinc/52/52/36/549525236.db2.gz VWUMRCFKOMROKQ-DZGCQCFKSA-N 1 2 362.503 2.136 10 0 FEAELO O[C@H](COCc1ccco1)C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000249800662 549628850 /nfs/dbraw/zinc/62/88/50/549628850.db2.gz ABSMXAOHITWVHA-RDJZCZTQSA-N 1 2 360.458 2.312 10 0 FEAELO O[C@H](COCc1ccco1)C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000249800662 549628854 /nfs/dbraw/zinc/62/88/54/549628854.db2.gz ABSMXAOHITWVHA-RDJZCZTQSA-N 1 2 360.458 2.312 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC/C=C\c2ccccc2)nc[nH+]1 ZINC000255072148 549703211 /nfs/dbraw/zinc/70/32/11/549703211.db2.gz PFUOBVCZCXTHBZ-OOYWPUHTSA-N 1 2 366.469 2.500 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC/C=C\c2ccccc2)[nH+]cn1 ZINC000255072148 549703212 /nfs/dbraw/zinc/70/32/12/549703212.db2.gz PFUOBVCZCXTHBZ-OOYWPUHTSA-N 1 2 366.469 2.500 10 0 FEAELO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC(C)(C)O1 ZINC000284654946 551600181 /nfs/dbraw/zinc/60/01/81/551600181.db2.gz XFRLWAOEEPCPFJ-CQSZACIVSA-N 1 2 356.413 2.049 10 0 FEAELO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC(C)(C)O1 ZINC000284654946 551600183 /nfs/dbraw/zinc/60/01/83/551600183.db2.gz XFRLWAOEEPCPFJ-CQSZACIVSA-N 1 2 356.413 2.049 10 0 FEAELO Cn1c[nH+]cc1CCC(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 ZINC000285646699 551788868 /nfs/dbraw/zinc/78/88/68/551788868.db2.gz XMPNBFUIMHCUNO-GOSISDBHSA-N 1 2 357.454 2.438 10 0 FEAELO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(SC)nn3)CC2)n1 ZINC000301564268 553661383 /nfs/dbraw/zinc/66/13/83/553661383.db2.gz PNBAKEURAYNQJW-GFCCVEGCSA-N 1 2 364.475 2.001 10 0 FEAELO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(SC)nn3)CC2)n1 ZINC000301564268 553661384 /nfs/dbraw/zinc/66/13/84/553661384.db2.gz PNBAKEURAYNQJW-GFCCVEGCSA-N 1 2 364.475 2.001 10 0 FEAELO C[C@@]1(c2ccccc2)CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CCO1 ZINC000301661536 553669588 /nfs/dbraw/zinc/66/95/88/553669588.db2.gz UQKGZCIOHZEFLW-PXNSSMCTSA-N 1 2 354.454 2.190 10 0 FEAELO C[C@@]1(c2ccccc2)CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CCO1 ZINC000301661536 553669589 /nfs/dbraw/zinc/66/95/89/553669589.db2.gz UQKGZCIOHZEFLW-PXNSSMCTSA-N 1 2 354.454 2.190 10 0 FEAELO CC(C)(C)c1cc(NC[C@H](O)C[NH+]2CCOCC2)nc(C(C)(C)C)n1 ZINC000301721105 553674028 /nfs/dbraw/zinc/67/40/28/553674028.db2.gz JLOODRJNCARGIZ-AWEZNQCLSA-N 1 2 350.507 2.177 10 0 FEAELO CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)c[nH+]1 ZINC000328637726 553800231 /nfs/dbraw/zinc/80/02/31/553800231.db2.gz OTFQNXDPGIJUGR-AWEZNQCLSA-N 1 2 368.485 2.466 10 0 FEAELO O=C(c1ncccc1Oc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000367018533 555999203 /nfs/dbraw/zinc/99/92/03/555999203.db2.gz ZVXDNCSRSSPUSH-MRXNPFEDSA-N 1 2 353.422 2.421 10 0 FEAELO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000122542967 671968205 /nfs/dbraw/zinc/96/82/05/671968205.db2.gz PROIJHIESCOTEY-BDJLRTHQSA-N 1 2 350.415 2.106 10 0 FEAELO CC(C)=CCSc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000132990492 672104549 /nfs/dbraw/zinc/10/45/49/672104549.db2.gz QFLFLZADEPMJGX-INIZCTEOSA-N 1 2 364.511 2.168 10 0 FEAELO C[C@H](CNC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)[NH+]1CCOCC1 ZINC000049130061 540381581 /nfs/dbraw/zinc/38/15/81/540381581.db2.gz KAIFQQWSENSXFN-OLZOCXBDSA-N 1 2 357.401 2.369 10 0 FEAELO C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)C(=O)N1CCCCC1 ZINC000067546777 541478889 /nfs/dbraw/zinc/47/88/89/541478889.db2.gz OCUYAJBGTBTDRP-INIZCTEOSA-N 1 2 374.485 2.041 10 0 FEAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)NCc1ccccc1Cn1cccn1 ZINC000070693743 541737574 /nfs/dbraw/zinc/73/75/74/541737574.db2.gz OIXIFENSSNQIBC-PMACEKPBSA-N 1 2 368.481 2.191 10 0 FEAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)NCc1ccccc1Cn1cccn1 ZINC000070693743 541737576 /nfs/dbraw/zinc/73/75/76/541737576.db2.gz OIXIFENSSNQIBC-PMACEKPBSA-N 1 2 368.481 2.191 10 0 FEAELO C[NH+]1CCN(C2=C(Cl)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000064712109 212043210 /nfs/dbraw/zinc/04/32/10/212043210.db2.gz CFLXHSWOEMHUEV-UHFFFAOYSA-N 1 2 373.762 2.276 10 0 FEAELO CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074875632 542132618 /nfs/dbraw/zinc/13/26/18/542132618.db2.gz TUNISGGEIUGMIM-WBVHZDCISA-N 1 2 369.469 2.491 10 0 FEAELO CC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074875631 542132695 /nfs/dbraw/zinc/13/26/95/542132695.db2.gz TUNISGGEIUGMIM-RDJZCZTQSA-N 1 2 369.469 2.491 10 0 FEAELO CCN1CC[NH+](Cc2ccc(-c3nc([C@@H]4CCCO4)cc(=O)[nH]3)cc2)CC1 ZINC000023399319 211387223 /nfs/dbraw/zinc/38/72/23/211387223.db2.gz YUJOLMWPWWYORI-IBGZPJMESA-N 1 2 368.481 2.426 10 0 FEAELO CCN1CC[NH+](Cc2ccc(-c3nc([C@H]4CCCO4)cc(=O)[nH]3)cc2)CC1 ZINC000023399321 211386566 /nfs/dbraw/zinc/38/65/66/211386566.db2.gz YUJOLMWPWWYORI-LJQANCHMSA-N 1 2 368.481 2.426 10 0 FEAELO Cc1nc(-n2cccn2)cc(N2CCC[C@]3(C2)C(=O)Nc2ccccc23)[nH+]1 ZINC000072155916 136143208 /nfs/dbraw/zinc/14/32/08/136143208.db2.gz PKPFXVILJWKTLM-HXUWFJFHSA-N 1 2 360.421 2.461 10 0 FEAELO CCCOc1ccc([C@H](C)[NH2+]Cc2nc(N)nc(N)n2)cc1OCCC ZINC000102696961 543078252 /nfs/dbraw/zinc/07/82/52/543078252.db2.gz SNPOYRJTTQPEEG-LBPRGKRZSA-N 1 2 360.462 2.464 10 0 FEAELO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1Br ZINC000104777520 543143026 /nfs/dbraw/zinc/14/30/26/543143026.db2.gz HPWWKCKPSVORTO-VXGBXAGGSA-N 1 2 356.264 2.140 10 0 FEAELO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1Br ZINC000104777520 543143029 /nfs/dbraw/zinc/14/30/29/543143029.db2.gz HPWWKCKPSVORTO-VXGBXAGGSA-N 1 2 356.264 2.140 10 0 FEAELO CC(C)[C@@H](C)NC(=O)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141540 543207808 /nfs/dbraw/zinc/20/78/08/543207808.db2.gz VMSIPICGDYEZKX-GOSISDBHSA-N 1 2 369.513 2.151 10 0 FEAELO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141540 543207811 /nfs/dbraw/zinc/20/78/11/543207811.db2.gz VMSIPICGDYEZKX-GOSISDBHSA-N 1 2 369.513 2.151 10 0 FEAELO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144703 543207931 /nfs/dbraw/zinc/20/79/31/543207931.db2.gz FCPOQFHEXSLJAJ-MRXNPFEDSA-N 1 2 363.550 2.449 10 0 FEAELO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144730 543208027 /nfs/dbraw/zinc/20/80/27/543208027.db2.gz WBGSRBXKZAPPCP-IRXDYDNUSA-N 1 2 363.550 2.449 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000106142280 543208100 /nfs/dbraw/zinc/20/81/00/543208100.db2.gz WWYDSHOICMTCDB-LJQANCHMSA-N 1 2 364.440 2.166 10 0 FEAELO CCc1ccccc1NC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106157660 543210153 /nfs/dbraw/zinc/21/01/53/543210153.db2.gz GLNPSMFUUWOMOJ-UHFFFAOYSA-N 1 2 355.486 2.129 10 0 FEAELO CCc1ccccc1NC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106157660 543210156 /nfs/dbraw/zinc/21/01/56/543210156.db2.gz GLNPSMFUUWOMOJ-UHFFFAOYSA-N 1 2 355.486 2.129 10 0 FEAELO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106155875 543210323 /nfs/dbraw/zinc/21/03/23/543210323.db2.gz CAWVDFMGNLFGAA-OAHLLOKOSA-N 1 2 359.449 2.094 10 0 FEAELO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106155875 543210325 /nfs/dbraw/zinc/21/03/25/543210325.db2.gz CAWVDFMGNLFGAA-OAHLLOKOSA-N 1 2 359.449 2.094 10 0 FEAELO C[C@@H](NC(=O)[C@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000106157815 543210493 /nfs/dbraw/zinc/21/04/93/543210493.db2.gz KVBCTFLGPXAGPW-MSOLQXFVSA-N 1 2 369.513 2.194 10 0 FEAELO C[C@@H](NC(=O)[C@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000106157815 543210498 /nfs/dbraw/zinc/21/04/98/543210498.db2.gz KVBCTFLGPXAGPW-MSOLQXFVSA-N 1 2 369.513 2.194 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000106180678 543214348 /nfs/dbraw/zinc/21/43/48/543214348.db2.gz HOEDXLPQWVPNKE-KRWDZBQOSA-N 1 2 369.469 2.448 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000106180678 543214351 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369.421 2.213 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)n1 ZINC000106203008 543217619 /nfs/dbraw/zinc/21/76/19/543217619.db2.gz YFIVJGANDZZNBP-QGZVFWFLSA-N 1 2 369.421 2.213 10 0 FEAELO O=S(=O)(c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1)C(F)F ZINC000106218893 543219494 /nfs/dbraw/zinc/21/94/94/543219494.db2.gz WHPQBRRNNUCXFJ-CYBMUJFWSA-N 1 2 356.398 2.112 10 0 FEAELO O=S(=O)(c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1)C(F)F ZINC000106218893 543219496 /nfs/dbraw/zinc/21/94/96/543219496.db2.gz WHPQBRRNNUCXFJ-CYBMUJFWSA-N 1 2 356.398 2.112 10 0 FEAELO Cc1nc(C[C@@H]2CCCN(C(=O)NCc3cn4c(cccc4C)[nH+]3)C2)no1 ZINC000109405352 543323930 /nfs/dbraw/zinc/32/39/30/543323930.db2.gz CZPMUPKUUQONSS-HNNXBMFYSA-N 1 2 368.441 2.498 10 0 FEAELO COc1ccc(OCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000110274439 543354396 /nfs/dbraw/zinc/35/43/96/543354396.db2.gz YLJKHSWGTVUSPT-HNNXBMFYSA-N 1 2 358.442 2.327 10 0 FEAELO COc1ccc(OCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000110274439 543354399 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FEAELO CCc1ccccc1OCC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115389763 543565137 /nfs/dbraw/zinc/56/51/37/543565137.db2.gz AEGXEWBUZBSFIU-UHFFFAOYSA-N 1 2 370.497 2.323 10 0 FEAELO CC(C)(C)c1n[nH]cc1C[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000122706181 543718816 /nfs/dbraw/zinc/71/88/16/543718816.db2.gz XCSLGTCVMLAWQP-GOSISDBHSA-N 1 2 372.513 2.265 10 0 FEAELO COc1ccc(C)nc1NC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000127672363 544007335 /nfs/dbraw/zinc/00/73/35/544007335.db2.gz IAWXDDIRHUJRLX-KRWDZBQOSA-N 1 2 370.453 2.282 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000128256683 544041968 /nfs/dbraw/zinc/04/19/68/544041968.db2.gz QQCIYFYEPQPMGV-MRXNPFEDSA-N 1 2 356.470 2.230 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C1 ZINC000128256683 544041972 /nfs/dbraw/zinc/04/19/72/544041972.db2.gz QQCIYFYEPQPMGV-MRXNPFEDSA-N 1 2 356.470 2.230 10 0 FEAELO CC(=O)N[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3nccs3)c2C)C1 ZINC000131114295 544177401 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CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cc(OC)ccc2F)[nH+]cn1 ZINC000151865799 544590092 /nfs/dbraw/zinc/59/00/92/544590092.db2.gz NKDFECXFFVTPGE-GFCCVEGCSA-N 1 2 374.420 2.457 10 0 FEAELO Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000153451624 544777279 /nfs/dbraw/zinc/77/72/79/544777279.db2.gz JYOKNAUUSJFYDN-CRAIPNDOSA-N 1 2 356.470 2.398 10 0 FEAELO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000155157155 544996138 /nfs/dbraw/zinc/99/61/38/544996138.db2.gz IABMAWGYCBNRRO-KZNAEPCWSA-N 1 2 361.534 2.106 10 0 FEAELO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000155157155 544996139 /nfs/dbraw/zinc/99/61/39/544996139.db2.gz IABMAWGYCBNRRO-KZNAEPCWSA-N 1 2 361.534 2.106 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCSc2ccccn2)CC1 ZINC000155008849 544977310 /nfs/dbraw/zinc/97/73/10/544977310.db2.gz RSBAJIGLXDYQCJ-UHFFFAOYSA-N 1 2 373.526 2.259 10 0 FEAELO Cc1cc(Br)ccc1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181275300 327722936 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FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(F)cc(F)c2Br)C1 ZINC000190619212 328219866 /nfs/dbraw/zinc/21/98/66/328219866.db2.gz GHUPLECOJNPQAL-SECBINFHSA-N 1 2 364.190 2.179 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191029377 328246533 /nfs/dbraw/zinc/24/65/33/328246533.db2.gz RZPOFLCXQYQNSU-CQSZACIVSA-N 1 2 360.376 2.310 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191029377 328246534 /nfs/dbraw/zinc/24/65/34/328246534.db2.gz RZPOFLCXQYQNSU-CQSZACIVSA-N 1 2 360.376 2.310 10 0 FEAELO CC(=O)CCCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191585855 328272752 /nfs/dbraw/zinc/27/27/52/328272752.db2.gz KKMVTSZDUZJOIF-MRXNPFEDSA-N 1 2 354.491 2.400 10 0 FEAELO CC(=O)CCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191585855 328272753 /nfs/dbraw/zinc/27/27/53/328272753.db2.gz KKMVTSZDUZJOIF-MRXNPFEDSA-N 1 2 354.491 2.400 10 0 FEAELO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191738701 328279462 /nfs/dbraw/zinc/27/94/62/328279462.db2.gz ARHBOIMXKPFKPX-HZPDHXFCSA-N 1 2 361.486 2.042 10 0 FEAELO CC(=O)NC1C[NH+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000191730150 328279146 /nfs/dbraw/zinc/27/91/46/328279146.db2.gz FHXMIAOIBAJJOB-FGZHOGPDSA-N 1 2 368.477 2.282 10 0 FEAELO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191738701 328279460 /nfs/dbraw/zinc/27/94/60/328279460.db2.gz ARHBOIMXKPFKPX-HZPDHXFCSA-N 1 2 361.486 2.042 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)Nc2cnns2)c2cccs2)CCO1 ZINC000192364634 328315691 /nfs/dbraw/zinc/31/56/91/328315691.db2.gz VHEWGXKBXDOXSI-MNOVXSKESA-N 1 2 353.473 2.183 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)Nc2cnns2)c2cccs2)CCO1 ZINC000192364634 328315692 /nfs/dbraw/zinc/31/56/92/328315692.db2.gz VHEWGXKBXDOXSI-MNOVXSKESA-N 1 2 353.473 2.183 10 0 FEAELO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193679140 328389205 /nfs/dbraw/zinc/38/92/05/328389205.db2.gz YLJJMEXCQAEULB-SECBINFHSA-N 1 2 352.353 2.102 10 0 FEAELO O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193679140 328389206 /nfs/dbraw/zinc/38/92/06/328389206.db2.gz YLJJMEXCQAEULB-SECBINFHSA-N 1 2 352.353 2.102 10 0 FEAELO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C[C@@H](C)O1 ZINC000193697487 328390047 /nfs/dbraw/zinc/39/00/47/328390047.db2.gz BLRWTTNEMIZECL-ZIAGYGMSSA-N 1 2 370.453 2.337 10 0 FEAELO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)c[nH+]1 ZINC000083699582 325222024 /nfs/dbraw/zinc/22/20/24/325222024.db2.gz CPGHMZIDLFZXOM-HNNXBMFYSA-N 1 2 357.462 2.162 10 0 FEAELO CCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1(CC)CC ZINC000083700475 325222406 /nfs/dbraw/zinc/22/24/06/325222406.db2.gz FIKSPEUZPIENEQ-BRWVUGGUSA-N 1 2 355.523 2.332 10 0 FEAELO CCCC(=O)N[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000101780660 325480592 /nfs/dbraw/zinc/48/05/92/325480592.db2.gz IOSHESDEQKEYTN-KRWDZBQOSA-N 1 2 373.501 2.272 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCc3cscn3)CC2)cs1 ZINC000116426185 326013685 /nfs/dbraw/zinc/01/36/85/326013685.db2.gz GVQGNVNHQIFKTR-UHFFFAOYSA-N 1 2 351.501 2.326 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCc3cscn3)CC2)cs1 ZINC000116426185 326013688 /nfs/dbraw/zinc/01/36/88/326013688.db2.gz GVQGNVNHQIFKTR-UHFFFAOYSA-N 1 2 351.501 2.326 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)C[C@H]1CC ZINC000116770472 326033456 /nfs/dbraw/zinc/03/34/56/326033456.db2.gz CLEXPFUPMVEZGQ-MRXNPFEDSA-N 1 2 352.862 2.482 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)C[C@H]1CC ZINC000116770472 326033457 /nfs/dbraw/zinc/03/34/57/326033457.db2.gz CLEXPFUPMVEZGQ-MRXNPFEDSA-N 1 2 352.862 2.482 10 0 FEAELO Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000116777329 326034480 /nfs/dbraw/zinc/03/44/80/326034480.db2.gz ZICDHELSVIWKEF-INIZCTEOSA-N 1 2 365.441 2.028 10 0 FEAELO O=C(CCc1ccsc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117311917 326056726 /nfs/dbraw/zinc/05/67/26/326056726.db2.gz AXWJLQQYBKUBLK-GOSISDBHSA-N 1 2 374.506 2.265 10 0 FEAELO CC[C@H]1CN(C(=O)CSCC(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC000117309634 326057017 /nfs/dbraw/zinc/05/70/17/326057017.db2.gz SVLVXENBIZSNON-KRWDZBQOSA-N 1 2 364.511 2.172 10 0 FEAELO CC[C@H]1CN(C(=O)CSCC(=O)c2ccccc2)CC[N@H+]1CCOC ZINC000117309634 326057019 /nfs/dbraw/zinc/05/70/19/326057019.db2.gz SVLVXENBIZSNON-KRWDZBQOSA-N 1 2 364.511 2.172 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCSc2ccccn2)nc[nH+]1 ZINC000121385066 326334692 /nfs/dbraw/zinc/33/46/92/326334692.db2.gz QZUINOJETQMMNU-CQSZACIVSA-N 1 2 372.498 2.181 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCSc2ccccn2)[nH+]cn1 ZINC000121385066 326334694 /nfs/dbraw/zinc/33/46/94/326334694.db2.gz QZUINOJETQMMNU-CQSZACIVSA-N 1 2 372.498 2.181 10 0 FEAELO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)c1nnc2n1CCCC2 ZINC000124647593 326457607 /nfs/dbraw/zinc/45/76/07/326457607.db2.gz QVZLVFNATOZCMP-BXUZGUMPSA-N 1 2 361.396 2.349 10 0 FEAELO COc1ccccc1[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000132730173 326597169 /nfs/dbraw/zinc/59/71/69/326597169.db2.gz OHDBLVFCGWAFGR-DNVCBOLYSA-N 1 2 373.453 2.398 10 0 FEAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1Sc1ccccc1 ZINC000133092194 326603038 /nfs/dbraw/zinc/60/30/38/326603038.db2.gz UETXBRRDVXEOGN-MRXNPFEDSA-N 1 2 372.490 2.261 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)/C=C/c2cncc(C)c2)CC1 ZINC000151714270 326689302 /nfs/dbraw/zinc/68/93/02/326689302.db2.gz KYQICDVBTSPCAI-AATRIKPKSA-N 1 2 353.470 2.098 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CC2)s1 ZINC000151836458 326692315 /nfs/dbraw/zinc/69/23/15/326692315.db2.gz FJZONVMAMQVMTP-KRWDZBQOSA-N 1 2 361.442 2.239 10 0 FEAELO COC(=O)c1cccc([C@H](C(=O)OC)[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000156728008 326842221 /nfs/dbraw/zinc/84/22/21/326842221.db2.gz PSQVLJPXCGNZOQ-GOSISDBHSA-N 1 2 371.437 2.296 10 0 FEAELO O=C(NCc1ccc(O)c(F)c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000163765732 327058374 /nfs/dbraw/zinc/05/83/74/327058374.db2.gz CHNUDWTYSSXGQK-LJQANCHMSA-N 1 2 373.428 2.092 10 0 FEAELO C[C@@H]1CN(C(=O)COc2ccc3c(c2)CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000164422073 327070153 /nfs/dbraw/zinc/07/01/53/327070153.db2.gz BCOMHRVHLGBGMG-OXQOHEQNSA-N 1 2 358.482 2.123 10 0 FEAELO Cc1nc(C[C@@H]2CCCN(C(=O)NCCc3cn4ccccc4[nH+]3)C2)no1 ZINC000170888134 327105348 /nfs/dbraw/zinc/10/53/48/327105348.db2.gz ZLILNCBZZIQKOH-HNNXBMFYSA-N 1 2 368.441 2.233 10 0 FEAELO Cc1nc(C[C@@H]2CCCN(C(=O)NCCCNc3cccc[nH+]3)C2)no1 ZINC000170895086 327105829 /nfs/dbraw/zinc/10/58/29/327105829.db2.gz DROPKKXWYDBPPW-HNNXBMFYSA-N 1 2 358.446 2.239 10 0 FEAELO Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000171288306 327129844 /nfs/dbraw/zinc/12/98/44/327129844.db2.gz VLLZIWMNEQGULF-INIZCTEOSA-N 1 2 374.510 2.028 10 0 FEAELO Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000171288306 327129846 /nfs/dbraw/zinc/12/98/46/327129846.db2.gz VLLZIWMNEQGULF-INIZCTEOSA-N 1 2 374.510 2.028 10 0 FEAELO CCC(=O)c1ccc(OCCCCC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000171300593 327130618 /nfs/dbraw/zinc/13/06/18/327130618.db2.gz AMJWQDOLSLXFFL-GOSISDBHSA-N 1 2 362.470 2.275 10 0 FEAELO CCC(=O)c1ccc(OCCCCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000171300593 327130619 /nfs/dbraw/zinc/13/06/19/327130619.db2.gz AMJWQDOLSLXFFL-GOSISDBHSA-N 1 2 362.470 2.275 10 0 FEAELO Cn1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000171456198 327140555 /nfs/dbraw/zinc/14/05/55/327140555.db2.gz KFBRXZJCTWVDRC-KRWDZBQOSA-N 1 2 354.458 2.462 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCOC3)CC2)cs1 ZINC000172117260 327181681 /nfs/dbraw/zinc/18/16/81/327181681.db2.gz PBOOENKCRFVGCP-OAHLLOKOSA-N 1 2 352.504 2.095 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCOC3)CC2)cs1 ZINC000172117260 327181683 /nfs/dbraw/zinc/18/16/83/327181683.db2.gz PBOOENKCRFVGCP-OAHLLOKOSA-N 1 2 352.504 2.095 10 0 FEAELO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172745194 327216472 /nfs/dbraw/zinc/21/64/72/327216472.db2.gz LIYSKGWONWOWQK-ZBFHGGJFSA-N 1 2 352.862 2.349 10 0 FEAELO CCCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1OCC ZINC000172754628 327217309 /nfs/dbraw/zinc/21/73/09/327217309.db2.gz OAOCMPAPPFYBQC-QGZVFWFLSA-N 1 2 362.470 2.421 10 0 FEAELO O=C(c1ccc(OCc2ccccc2)nc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172759627 327217472 /nfs/dbraw/zinc/21/74/72/327217472.db2.gz CWTSMUKXMLCONR-IBGZPJMESA-N 1 2 367.449 2.207 10 0 FEAELO O=C(COc1cc(Cl)ccc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172762604 327217602 /nfs/dbraw/zinc/21/76/02/327217602.db2.gz PJZQXRABMCAQDP-ZDUSSCGKSA-N 1 2 359.253 2.305 10 0 FEAELO O=C(CCCOc1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767654 327217947 /nfs/dbraw/zinc/21/79/47/327217947.db2.gz MVEXMWCBKQNGAE-MRXNPFEDSA-N 1 2 352.862 2.432 10 0 FEAELO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173383659 327252958 /nfs/dbraw/zinc/25/29/58/327252958.db2.gz AQIAMIZCCGEXQI-LBPRGKRZSA-N 1 2 360.439 2.200 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Cc2ccccc2)nc[nH+]1 ZINC000173412310 327254673 /nfs/dbraw/zinc/25/46/73/327254673.db2.gz INZAHSYVQVFDLA-WBVHZDCISA-N 1 2 353.470 2.482 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Cc2ccccc2)[nH+]cn1 ZINC000173412310 327254674 /nfs/dbraw/zinc/25/46/74/327254674.db2.gz INZAHSYVQVFDLA-WBVHZDCISA-N 1 2 353.470 2.482 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)c2ccco2)nc[nH+]1 ZINC000173418534 327254932 /nfs/dbraw/zinc/25/49/32/327254932.db2.gz CZJPGWJWZUROPV-UONOGXRCSA-N 1 2 358.446 2.483 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)c2ccco2)[nH+]cn1 ZINC000173418534 327254933 /nfs/dbraw/zinc/25/49/33/327254933.db2.gz CZJPGWJWZUROPV-UONOGXRCSA-N 1 2 358.446 2.483 10 0 FEAELO CCSCC[C@H](C)NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173428353 327256396 /nfs/dbraw/zinc/25/63/96/327256396.db2.gz JXMHAXSVTYEMDT-KBPBESRZSA-N 1 2 366.535 2.318 10 0 FEAELO CCSCC[C@H](C)NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173428353 327256397 /nfs/dbraw/zinc/25/63/97/327256397.db2.gz JXMHAXSVTYEMDT-KBPBESRZSA-N 1 2 366.535 2.318 10 0 FEAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173436454 327256801 /nfs/dbraw/zinc/25/68/01/327256801.db2.gz MEAKANUAJOXTMF-MRXNPFEDSA-N 1 2 367.457 2.373 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccccc2C)nc[nH+]1 ZINC000173439405 327256911 /nfs/dbraw/zinc/25/69/11/327256911.db2.gz USTPCCDKLFDBQH-INIZCTEOSA-N 1 2 354.458 2.295 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccccc2C)[nH+]cn1 ZINC000173439405 327256914 /nfs/dbraw/zinc/25/69/14/327256914.db2.gz USTPCCDKLFDBQH-INIZCTEOSA-N 1 2 354.458 2.295 10 0 FEAELO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1nnc2n1CCCC2 ZINC000173621762 327271661 /nfs/dbraw/zinc/27/16/61/327271661.db2.gz CZHCWVJGFRPHDM-OLZOCXBDSA-N 1 2 359.499 2.300 10 0 FEAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(N(C)C)cc1 ZINC000173622150 327271835 /nfs/dbraw/zinc/27/18/35/327271835.db2.gz QXDPQSLWDQAUES-UONOGXRCSA-N 1 2 356.474 2.358 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(=O)oc4c(C)c(C)ccc34)CCO2)[nH]1 ZINC000173669254 327275300 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ZINC000185724170 548025080 /nfs/dbraw/zinc/02/50/80/548025080.db2.gz JQRCLUIZFLAAHG-HZPDHXFCSA-N 1 2 362.474 2.157 10 0 FEAELO CCO[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(C)C)C12CCOCC2 ZINC000185756126 548030998 /nfs/dbraw/zinc/03/09/98/548030998.db2.gz SDCJYZVMVBMZPM-CVEARBPZSA-N 1 2 364.490 2.313 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[N@@H+]1CCOC ZINC000189631358 548306452 /nfs/dbraw/zinc/30/64/52/548306452.db2.gz NIALUVTWXRVHDL-CYBMUJFWSA-N 1 2 369.462 2.038 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[N@H+]1CCOC ZINC000189631358 548306454 /nfs/dbraw/zinc/30/64/54/548306454.db2.gz NIALUVTWXRVHDL-CYBMUJFWSA-N 1 2 369.462 2.038 10 0 FEAELO CC(C)n1nnnc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000195090929 548575409 /nfs/dbraw/zinc/57/54/09/548575409.db2.gz WZBNRJIJKIWBKB-UHFFFAOYSA-N 1 2 363.853 2.153 10 0 FEAELO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505606 548652278 /nfs/dbraw/zinc/65/22/78/548652278.db2.gz UHHLFEJKTXDYMI-AWEZNQCLSA-N 1 2 355.442 2.004 10 0 FEAELO CCc1nnc([C@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)[nH]1 ZINC000246263191 549091617 /nfs/dbraw/zinc/09/16/17/549091617.db2.gz GNDWUIALQYKKMK-QZTJIDSGSA-N 1 2 372.469 2.498 10 0 FEAELO CCc1nnc([C@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)[nH]1 ZINC000246263191 549091622 /nfs/dbraw/zinc/09/16/22/549091622.db2.gz GNDWUIALQYKKMK-QZTJIDSGSA-N 1 2 372.469 2.498 10 0 FEAELO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000246306420 549101520 /nfs/dbraw/zinc/10/15/20/549101520.db2.gz CERKGJUHQICYGZ-AABGKKOBSA-N 1 2 360.498 2.065 10 0 FEAELO COCCC1(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246356649 549113708 /nfs/dbraw/zinc/11/37/08/549113708.db2.gz GDLRJBBDRQBARK-LSDHHAIUSA-N 1 2 352.500 2.443 10 0 FEAELO COCCC1(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000246356649 549113712 /nfs/dbraw/zinc/11/37/12/549113712.db2.gz GDLRJBBDRQBARK-LSDHHAIUSA-N 1 2 352.500 2.443 10 0 FEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246459289 549138040 /nfs/dbraw/zinc/13/80/40/549138040.db2.gz UXKCPVAOGRJORA-BHIYHBOVSA-N 1 2 361.486 2.005 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C)cc4)C3=O)CCO2)c1 ZINC000246620722 549176473 /nfs/dbraw/zinc/17/64/73/549176473.db2.gz HCLBJOVDULSNEE-RTBURBONSA-N 1 2 354.454 2.006 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+]([C@@H]3CCN(c4ccc(C)cc4)C3=O)CCO2)c1 ZINC000246620722 549176475 /nfs/dbraw/zinc/17/64/75/549176475.db2.gz HCLBJOVDULSNEE-RTBURBONSA-N 1 2 354.454 2.006 10 0 FEAELO COc1ncccc1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000247010279 549263762 /nfs/dbraw/zinc/26/37/62/549263762.db2.gz RMWSKJVOILYGTO-UKRRQHHQSA-N 1 2 361.467 2.344 10 0 FEAELO COc1ncccc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000247010279 549263765 /nfs/dbraw/zinc/26/37/65/549263765.db2.gz RMWSKJVOILYGTO-UKRRQHHQSA-N 1 2 361.467 2.344 10 0 FEAELO C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000247012639 549265740 /nfs/dbraw/zinc/26/57/40/549265740.db2.gz RZRIDOFYTPLTKE-RKVPGOIHSA-N 1 2 358.442 2.427 10 0 FEAELO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247227630 549301949 /nfs/dbraw/zinc/30/19/49/549301949.db2.gz WRVDAVGRGDUJCI-UONOGXRCSA-N 1 2 371.403 2.439 10 0 FEAELO CC(C)C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000247278434 549311110 /nfs/dbraw/zinc/31/11/10/549311110.db2.gz SPZMVAFLHIUKIZ-BZUAXINKSA-N 1 2 369.531 2.216 10 0 FEAELO CC(C)C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000247278434 549311112 /nfs/dbraw/zinc/31/11/12/549311112.db2.gz SPZMVAFLHIUKIZ-BZUAXINKSA-N 1 2 369.531 2.216 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)CCO2)n1 ZINC000247811583 549382801 /nfs/dbraw/zinc/38/28/01/549382801.db2.gz UZMWKYALVFWYOC-APWZRJJASA-N 1 2 374.460 2.045 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)CCO2)n1 ZINC000247811583 549382804 /nfs/dbraw/zinc/38/28/04/549382804.db2.gz UZMWKYALVFWYOC-APWZRJJASA-N 1 2 374.460 2.045 10 0 FEAELO CCN(C(=O)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1)[C@H](C)c1ccc(F)cc1 ZINC000247926629 549392294 /nfs/dbraw/zinc/39/22/94/549392294.db2.gz ZXSZGFJKYCBFKO-VQIMIIECSA-N 1 2 374.460 2.333 10 0 FEAELO CCN(C(=O)C[N@H+]1CCO[C@@H](Cn2cccn2)C1)[C@H](C)c1ccc(F)cc1 ZINC000247926629 549392297 /nfs/dbraw/zinc/39/22/97/549392297.db2.gz ZXSZGFJKYCBFKO-VQIMIIECSA-N 1 2 374.460 2.333 10 0 FEAELO CC[C@H](COC)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248333877 549419666 /nfs/dbraw/zinc/41/96/66/549419666.db2.gz FWYVMPLWJZKSNF-RRFJBIMHSA-N 1 2 355.504 2.234 10 0 FEAELO CC[C@H](COC)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248333877 549419670 /nfs/dbraw/zinc/41/96/70/549419670.db2.gz FWYVMPLWJZKSNF-RRFJBIMHSA-N 1 2 355.504 2.234 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000248648258 549476858 /nfs/dbraw/zinc/47/68/58/549476858.db2.gz UJLOASHNAQOMCW-ZBFHGGJFSA-N 1 2 350.459 2.382 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000248648258 549476860 /nfs/dbraw/zinc/47/68/60/549476860.db2.gz UJLOASHNAQOMCW-ZBFHGGJFSA-N 1 2 350.459 2.382 10 0 FEAELO CS(=O)(=O)N(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000248913553 549527378 /nfs/dbraw/zinc/52/73/78/549527378.db2.gz ZADPGQPFMVTDJW-QZTJIDSGSA-N 1 2 352.500 2.092 10 0 FEAELO CS(=O)(=O)N(CC[N@H+]1CCO[C@@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000248913553 549527381 /nfs/dbraw/zinc/52/73/81/549527381.db2.gz ZADPGQPFMVTDJW-QZTJIDSGSA-N 1 2 352.500 2.092 10 0 FEAELO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249286812 549576274 /nfs/dbraw/zinc/57/62/74/549576274.db2.gz IZPQKEGERFKJTP-UWVAXJGDSA-N 1 2 370.449 2.193 10 0 FEAELO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249286812 549576279 /nfs/dbraw/zinc/57/62/79/549576279.db2.gz IZPQKEGERFKJTP-UWVAXJGDSA-N 1 2 370.449 2.193 10 0 FEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000249723591 549619913 /nfs/dbraw/zinc/61/99/13/549619913.db2.gz OFQYHWWINMEYFG-YSIASYRMSA-N 1 2 357.498 2.273 10 0 FEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000249723591 549619915 /nfs/dbraw/zinc/61/99/15/549619915.db2.gz OFQYHWWINMEYFG-YSIASYRMSA-N 1 2 357.498 2.273 10 0 FEAELO C[C@H](CNC(=O)Nc1nnc(/C=C\c2ccco2)s1)[NH+]1CCOCC1 ZINC000255573407 549708095 /nfs/dbraw/zinc/70/80/95/549708095.db2.gz OHZMGXFJQBJURZ-QMAVJUDZSA-N 1 2 363.443 2.144 10 0 FEAELO CC(=O)N(CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000262929464 549863329 /nfs/dbraw/zinc/86/33/29/549863329.db2.gz LZKLMPSSAFISNH-LJQANCHMSA-N 1 2 370.453 2.160 10 0 FEAELO CC(=O)N(CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000262929464 549863330 /nfs/dbraw/zinc/86/33/30/549863330.db2.gz LZKLMPSSAFISNH-LJQANCHMSA-N 1 2 370.453 2.160 10 0 FEAELO CN(C)c1nc(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)[nH+]c2ccccc21 ZINC000263544813 549908513 /nfs/dbraw/zinc/90/85/13/549908513.db2.gz GGNJYTAPWDUPNJ-UHFFFAOYSA-N 1 2 369.469 2.435 10 0 FEAELO CN(C)c1nc(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)[nH+]c2ccccc21 ZINC000263544813 549908515 /nfs/dbraw/zinc/90/85/15/549908515.db2.gz GGNJYTAPWDUPNJ-UHFFFAOYSA-N 1 2 369.469 2.435 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2NCc1cc(Cl)c(Cl)n1C ZINC000301661566 553669643 /nfs/dbraw/zinc/66/96/43/553669643.db2.gz USBQVEZQJVWKAQ-UHFFFAOYSA-N 1 2 369.212 2.257 10 0 FEAELO CC(C)(C)OC(=O)Nc1ncccc1[C@@H](O)[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000536956813 562583125 /nfs/dbraw/zinc/58/31/25/562583125.db2.gz AJOZBKZKANWTMR-NWDGAFQWSA-N 1 2 353.419 2.131 10 0 FEAELO O=S1(=O)CC([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000380187561 571150857 /nfs/dbraw/zinc/15/08/57/571150857.db2.gz ZEGQFHGUTIBMRS-UHFFFAOYSA-N 1 2 369.078 2.098 10 0 FEAELO CC(C)COC(=O)C[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190504844 672642493 /nfs/dbraw/zinc/64/24/93/672642493.db2.gz JGWJWUIVAFCDNV-INIZCTEOSA-N 1 2 356.507 2.314 10 0 FEAELO CC(C)COC(=O)C[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190504844 672642495 /nfs/dbraw/zinc/64/24/95/672642495.db2.gz JGWJWUIVAFCDNV-INIZCTEOSA-N 1 2 356.507 2.314 10 0 FEAELO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000255731570 672896323 /nfs/dbraw/zinc/89/63/23/672896323.db2.gz RIYKEPMDXLKKDT-ZROIWOOFSA-N 1 2 352.500 2.277 10 0 FEAELO C/C(=C\C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl)C[NH+]1CCOCC1 ZINC000900599634 690537068 /nfs/dbraw/zinc/53/70/68/690537068.db2.gz RVJFRTYOUHNSMK-HFBDAHEESA-N 1 2 366.893 2.324 10 0 FEAELO CCOC(=O)C[N@H+](C[C@@H](O)COc1cccc(Br)c1)C(C)C ZINC000066423423 541316853 /nfs/dbraw/zinc/31/68/53/541316853.db2.gz VTTDXDMPLSUKGT-CQSZACIVSA-N 1 2 374.275 2.462 10 0 FEAELO CCOC(=O)C[N@@H+](C[C@@H](O)COc1cccc(Br)c1)C(C)C ZINC000066423423 541316855 /nfs/dbraw/zinc/31/68/55/541316855.db2.gz VTTDXDMPLSUKGT-CQSZACIVSA-N 1 2 374.275 2.462 10 0 FEAELO C[C@H](C(N)=O)[NH+]1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000085704706 542731947 /nfs/dbraw/zinc/73/19/47/542731947.db2.gz DRBSJYZZLVARPV-SECBINFHSA-N 1 2 358.389 2.311 10 0 FEAELO Cc1cc(O)ccc1N1C(=O)C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000102311591 132234897 /nfs/dbraw/zinc/23/48/97/132234897.db2.gz KSPXEXPSAVWNEN-LJQANCHMSA-N 1 2 365.433 2.155 10 0 FEAELO COc1c(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c(C)nn1C ZINC000093054275 542906141 /nfs/dbraw/zinc/90/61/41/542906141.db2.gz OXVMODCVYLIDMH-QGZVFWFLSA-N 1 2 372.513 2.460 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000101565304 543034178 /nfs/dbraw/zinc/03/41/78/543034178.db2.gz NLLWKZQUUPAKQG-KRWDZBQOSA-N 1 2 365.905 2.379 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000101565304 543034182 /nfs/dbraw/zinc/03/41/82/543034182.db2.gz NLLWKZQUUPAKQG-KRWDZBQOSA-N 1 2 365.905 2.379 10 0 FEAELO CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1OC(F)F ZINC000104788993 543143864 /nfs/dbraw/zinc/14/38/64/543143864.db2.gz JBSNVNHDFZOUIB-OCCSQVGLSA-N 1 2 357.401 2.369 10 0 FEAELO CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1OC(F)F ZINC000104788993 543143863 /nfs/dbraw/zinc/14/38/63/543143863.db2.gz JBSNVNHDFZOUIB-OCCSQVGLSA-N 1 2 357.401 2.369 10 0 FEAELO CN(CCCOc1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104799743 543145165 /nfs/dbraw/zinc/14/51/65/543145165.db2.gz FUJBGVKMZCNIEA-INIZCTEOSA-N 1 2 355.866 2.081 10 0 FEAELO CN(CCCOc1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104799743 543145167 /nfs/dbraw/zinc/14/51/67/543145167.db2.gz FUJBGVKMZCNIEA-INIZCTEOSA-N 1 2 355.866 2.081 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(CCc2ccccc2)Cc2ccncc2)C1 ZINC000105279362 543168239 /nfs/dbraw/zinc/16/82/39/543168239.db2.gz SEHKXGMQPNKBRR-FQEVSTJZSA-N 1 2 368.481 2.167 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)N(CCc2ccccc2)Cc2ccncc2)C1 ZINC000105279362 543168241 /nfs/dbraw/zinc/16/82/41/543168241.db2.gz SEHKXGMQPNKBRR-FQEVSTJZSA-N 1 2 368.481 2.167 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000105281848 543169224 /nfs/dbraw/zinc/16/92/24/543169224.db2.gz SVPXDDFLHWIZAI-MRXNPFEDSA-N 1 2 360.389 2.465 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000105281848 543169225 /nfs/dbraw/zinc/16/92/25/543169225.db2.gz SVPXDDFLHWIZAI-MRXNPFEDSA-N 1 2 360.389 2.465 10 0 FEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000105283679 543169532 /nfs/dbraw/zinc/16/95/32/543169532.db2.gz GPPPCYYRMIGKPL-GFCCVEGCSA-N 1 2 361.364 2.388 10 0 FEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(OCC(F)(F)F)c1 ZINC000105283679 543169534 /nfs/dbraw/zinc/16/95/34/543169534.db2.gz GPPPCYYRMIGKPL-GFCCVEGCSA-N 1 2 361.364 2.388 10 0 FEAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)Nc1cccc2c1N=S=N2 ZINC000106071337 543188868 /nfs/dbraw/zinc/18/88/68/543188868.db2.gz PVGPQMUBHRVHPX-UHFFFAOYSA-N 1 2 369.454 2.354 10 0 FEAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)Nc1cccc2c1N=S=N2 ZINC000106071337 543188869 /nfs/dbraw/zinc/18/88/69/543188869.db2.gz PVGPQMUBHRVHPX-UHFFFAOYSA-N 1 2 369.454 2.354 10 0 FEAELO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106074025 543189500 /nfs/dbraw/zinc/18/95/00/543189500.db2.gz JNBBGJXJIXVGDE-UHFFFAOYSA-N 1 2 369.469 2.253 10 0 FEAELO COc1ccc(C)cc1NC(=O)C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106074025 543189503 /nfs/dbraw/zinc/18/95/03/543189503.db2.gz JNBBGJXJIXVGDE-UHFFFAOYSA-N 1 2 369.469 2.253 10 0 FEAELO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081381 543192394 /nfs/dbraw/zinc/19/23/94/543192394.db2.gz MSRKOQMVKRNTRF-CQSZACIVSA-N 1 2 357.462 2.158 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000106082940 543192654 /nfs/dbraw/zinc/19/26/54/543192654.db2.gz QGKDPRYYTRXYJY-UHFFFAOYSA-N 1 2 353.426 2.194 10 0 FEAELO CN(c1cccnn1)C1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000106085136 543193387 /nfs/dbraw/zinc/19/33/87/543193387.db2.gz IPMIHCLXFUXQDB-UHFFFAOYSA-N 1 2 361.396 2.294 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N(CC(C)C)C3CC3)CC2)s1 ZINC000106089971 543194572 /nfs/dbraw/zinc/19/45/72/543194572.db2.gz NPXIPUKWJFSUID-UHFFFAOYSA-N 1 2 350.532 2.216 10 0 FEAELO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(C[C@H](O)c2ccccc2)CC1)C(C)C ZINC000106096831 543195354 /nfs/dbraw/zinc/19/53/54/543195354.db2.gz MBONQHIVPXTOHL-ICSRJNTNSA-N 1 2 361.530 2.372 10 0 FEAELO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141282 543208095 /nfs/dbraw/zinc/20/80/95/543208095.db2.gz WMLCOLSTSXOBFP-SFHVURJKSA-N 1 2 369.513 2.247 10 0 FEAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)n1 ZINC000106178145 543213735 /nfs/dbraw/zinc/21/37/35/543213735.db2.gz QKABZASBBPXGSR-QGZVFWFLSA-N 1 2 351.458 2.388 10 0 FEAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)n1 ZINC000106178145 543213737 /nfs/dbraw/zinc/21/37/37/543213737.db2.gz QKABZASBBPXGSR-QGZVFWFLSA-N 1 2 351.458 2.388 10 0 FEAELO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106191466 543215406 /nfs/dbraw/zinc/21/54/06/543215406.db2.gz JWQKCJHXGUMUDT-ZWKOTPCHSA-N 1 2 358.442 2.010 10 0 FEAELO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106191466 543215407 /nfs/dbraw/zinc/21/54/07/543215407.db2.gz JWQKCJHXGUMUDT-ZWKOTPCHSA-N 1 2 358.442 2.010 10 0 FEAELO CCc1cc2c(C[N@@H+]3CCO[C@@H](Cn4cccn4)C3)cc(=O)oc2cc1O ZINC000106193712 543216327 /nfs/dbraw/zinc/21/63/27/543216327.db2.gz UBLHBQCYZHPHSX-MRXNPFEDSA-N 1 2 369.421 2.159 10 0 FEAELO CCc1cc2c(C[N@H+]3CCO[C@@H](Cn4cccn4)C3)cc(=O)oc2cc1O ZINC000106193712 543216331 /nfs/dbraw/zinc/21/63/31/543216331.db2.gz UBLHBQCYZHPHSX-MRXNPFEDSA-N 1 2 369.421 2.159 10 0 FEAELO CN(C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1nc2ccccc2s1 ZINC000106218079 543219291 /nfs/dbraw/zinc/21/92/91/543219291.db2.gz KXHNQSBMVGXCKU-CYBMUJFWSA-N 1 2 356.455 2.188 10 0 FEAELO CN(C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1)c1nc2ccccc2s1 ZINC000106218079 543219293 /nfs/dbraw/zinc/21/92/93/543219293.db2.gz KXHNQSBMVGXCKU-CYBMUJFWSA-N 1 2 356.455 2.188 10 0 FEAELO CC[C@@H](O)C[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000106395688 543227787 /nfs/dbraw/zinc/22/77/87/543227787.db2.gz FGFDCWDOPJJYKF-HXUWFJFHSA-N 1 2 372.509 2.443 10 0 FEAELO Cc1c(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cnn1C(C)(C)C ZINC000109644678 543330133 /nfs/dbraw/zinc/33/01/33/543330133.db2.gz NQZOAWHGQGCAOI-LJQANCHMSA-N 1 2 370.497 2.438 10 0 FEAELO COC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112668026 543456260 /nfs/dbraw/zinc/45/62/60/543456260.db2.gz QGKGYOFTIFIHCS-ZDUSSCGKSA-N 1 2 350.463 2.199 10 0 FEAELO C[C@H](CNC(=O)N1CCC(Oc2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000115653689 543579893 /nfs/dbraw/zinc/57/98/93/543579893.db2.gz LVDSHNRKSHZEHS-OAHLLOKOSA-N 1 2 365.449 2.099 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)C[C@H]1C ZINC000117290973 543627314 /nfs/dbraw/zinc/62/73/14/543627314.db2.gz BCGDZNODDKAUCT-HUUCEWRRSA-N 1 2 352.500 2.355 10 0 FEAELO COCC[N@H+]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)C[C@H]1C ZINC000117290973 543627317 /nfs/dbraw/zinc/62/73/17/543627317.db2.gz BCGDZNODDKAUCT-HUUCEWRRSA-N 1 2 352.500 2.355 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCCC(C)(C)CO)CC2)cs1 ZINC000122607098 543713120 /nfs/dbraw/zinc/71/31/20/543713120.db2.gz DLUYGYFFWNLTJC-UHFFFAOYSA-N 1 2 368.547 2.468 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCCC(C)(C)CO)CC2)cs1 ZINC000122607098 543713122 /nfs/dbraw/zinc/71/31/22/543713122.db2.gz DLUYGYFFWNLTJC-UHFFFAOYSA-N 1 2 368.547 2.468 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cn(C)nc3-c3ccncc3)CCO2)n1 ZINC000122640788 543715178 /nfs/dbraw/zinc/71/51/78/543715178.db2.gz HOFMSENTUJCPPR-LJQANCHMSA-N 1 2 366.469 2.196 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccncc3)CCO2)n1 ZINC000122640788 543715180 /nfs/dbraw/zinc/71/51/80/543715180.db2.gz HOFMSENTUJCPPR-LJQANCHMSA-N 1 2 366.469 2.196 10 0 FEAELO Cc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1-c1cc(C)ccc1C ZINC000124838851 543846035 /nfs/dbraw/zinc/84/60/35/543846035.db2.gz XXZAOBSNSCQYMI-SFHVURJKSA-N 1 2 368.481 2.344 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000127473107 543995464 /nfs/dbraw/zinc/99/54/64/543995464.db2.gz IXPXYKCFVWHUIQ-CYBMUJFWSA-N 1 2 355.841 2.141 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)NCC2(c3ccc(F)cc3Cl)CC2)C1 ZINC000127473107 543995467 /nfs/dbraw/zinc/99/54/67/543995467.db2.gz IXPXYKCFVWHUIQ-CYBMUJFWSA-N 1 2 355.841 2.141 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2Cl)CC[N@@H+]1CCOC ZINC000127549672 544000009 /nfs/dbraw/zinc/00/00/09/544000009.db2.gz TZFSFKWHJWTGJI-CQSZACIVSA-N 1 2 360.907 2.380 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2Cl)CC[N@H+]1CCOC ZINC000127549672 544000012 /nfs/dbraw/zinc/00/00/12/544000012.db2.gz TZFSFKWHJWTGJI-CQSZACIVSA-N 1 2 360.907 2.380 10 0 FEAELO CCc1nnc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(OC)cc3)CCO2)[nH]1 ZINC000129192825 544096192 /nfs/dbraw/zinc/09/61/92/544096192.db2.gz BSCYGYGDKLNWBS-INIZCTEOSA-N 1 2 368.441 2.339 10 0 FEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(OC)cc3)CCO2)[nH]1 ZINC000129192825 544096196 /nfs/dbraw/zinc/09/61/96/544096196.db2.gz BSCYGYGDKLNWBS-INIZCTEOSA-N 1 2 368.441 2.339 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000131233395 544181606 /nfs/dbraw/zinc/18/16/06/544181606.db2.gz XKDOTPNNQOGGCI-WHEFHEQHSA-N 1 2 369.531 2.424 10 0 FEAELO CCOc1cccc(CNC(=O)C[S@@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000131252446 544182274 /nfs/dbraw/zinc/18/22/74/544182274.db2.gz SRMQCUOYNRDZLO-RUZDIDTESA-N 1 2 363.483 2.428 10 0 FEAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000131277846 544183828 /nfs/dbraw/zinc/18/38/28/544183828.db2.gz YJJMBVWWWDOARO-KBPBESRZSA-N 1 2 356.492 2.002 10 0 FEAELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000131277846 544183830 /nfs/dbraw/zinc/18/38/30/544183830.db2.gz YJJMBVWWWDOARO-KBPBESRZSA-N 1 2 356.492 2.002 10 0 FEAELO O=C(NCCn1cc[nH+]c1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000132139473 544220668 /nfs/dbraw/zinc/22/06/68/544220668.db2.gz LQEKRPJICSFYEU-HUUCEWRRSA-N 1 2 368.359 2.419 10 0 FEAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000152175467 544622111 /nfs/dbraw/zinc/62/21/11/544622111.db2.gz BKXFHGULCZANIF-UHFFFAOYSA-N 1 2 357.458 2.433 10 0 FEAELO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000153656867 544804281 /nfs/dbraw/zinc/80/42/81/544804281.db2.gz MTUVIAQBIYSFOD-RYRKJORJSA-N 1 2 374.485 2.328 10 0 FEAELO CCCC[C@@H](COC)NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000153782756 544822577 /nfs/dbraw/zinc/82/25/77/544822577.db2.gz DZTVDMZHFMWTJW-HNNXBMFYSA-N 1 2 354.520 2.484 10 0 FEAELO CN1C(=O)C[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000179163380 327629087 /nfs/dbraw/zinc/62/90/87/327629087.db2.gz XTPBKYYEQLCSQF-APWZRJJASA-N 1 2 366.396 2.309 10 0 FEAELO CCn1nc(C)c(NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1C ZINC000179537510 327648631 /nfs/dbraw/zinc/64/86/31/327648631.db2.gz XHDAMXGKGGOWQR-UHFFFAOYSA-N 1 2 373.505 2.220 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180324696 327681237 /nfs/dbraw/zinc/68/12/37/327681237.db2.gz PNQNGLQAUBHSQZ-YJBOKZPZSA-N 1 2 374.481 2.435 10 0 FEAELO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1C ZINC000180535653 327690097 /nfs/dbraw/zinc/69/00/97/327690097.db2.gz AKEDWCPJVLYSID-CYBMUJFWSA-N 1 2 365.503 2.040 10 0 FEAELO CCS[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182862461 327791710 /nfs/dbraw/zinc/79/17/10/327791710.db2.gz QOUXJKNXRHPMFA-MNOVXSKESA-N 1 2 370.500 2.382 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)CC[N@@H+]1CCOC ZINC000187974094 328057381 /nfs/dbraw/zinc/05/73/81/328057381.db2.gz RJTVYRLYWUOBSR-GFCCVEGCSA-N 1 2 366.936 2.441 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)CC[N@H+]1CCOC ZINC000187974094 328057383 /nfs/dbraw/zinc/05/73/83/328057383.db2.gz RJTVYRLYWUOBSR-GFCCVEGCSA-N 1 2 366.936 2.441 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@@H]1C ZINC000187973501 328057499 /nfs/dbraw/zinc/05/74/99/328057499.db2.gz CUKZVRFWEAVYSY-LBPRGKRZSA-N 1 2 366.936 2.441 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@@H]1C ZINC000187973501 328057500 /nfs/dbraw/zinc/05/75/00/328057500.db2.gz CUKZVRFWEAVYSY-LBPRGKRZSA-N 1 2 366.936 2.441 10 0 FEAELO C[C@H](CNC(=O)c1c[nH]nc1-c1ccc(Cl)s1)[NH+]1CCOCC1 ZINC000188195049 328072705 /nfs/dbraw/zinc/07/27/05/328072705.db2.gz DQGJUUOMABSNRZ-SNVBAGLBSA-N 1 2 354.863 2.242 10 0 FEAELO Fc1ccccc1-c1noc(C[N@@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000189006460 328122913 /nfs/dbraw/zinc/12/29/13/328122913.db2.gz NBHRHQDTSRTYRC-UHFFFAOYSA-N 1 2 354.389 2.378 10 0 FEAELO Fc1ccccc1-c1noc(C[N@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000189006460 328122915 /nfs/dbraw/zinc/12/29/15/328122915.db2.gz NBHRHQDTSRTYRC-UHFFFAOYSA-N 1 2 354.389 2.378 10 0 FEAELO C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)N1CCCCC1=O ZINC000189153255 328131625 /nfs/dbraw/zinc/13/16/25/328131625.db2.gz AWLBJEFMSOQCCR-MRXNPFEDSA-N 1 2 358.486 2.479 10 0 FEAELO CCn1cc([C@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)cn1 ZINC000190817609 328234092 /nfs/dbraw/zinc/23/40/92/328234092.db2.gz FZRYIYDPUJNGJV-MRXNPFEDSA-N 1 2 373.844 2.138 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)cn1 ZINC000190817609 328234093 /nfs/dbraw/zinc/23/40/93/328234093.db2.gz FZRYIYDPUJNGJV-MRXNPFEDSA-N 1 2 373.844 2.138 10 0 FEAELO CCCOc1cc(OC)ccc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000191916952 328288621 /nfs/dbraw/zinc/28/86/21/328288621.db2.gz LTQBRDAPAHRTFV-MAUKXSAKSA-N 1 2 362.470 2.277 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192004576 328293504 /nfs/dbraw/zinc/29/35/04/328293504.db2.gz DFBCROCAQJKQCZ-FQEVSTJZSA-N 1 2 367.497 2.108 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192004576 328293505 /nfs/dbraw/zinc/29/35/05/328293505.db2.gz DFBCROCAQJKQCZ-FQEVSTJZSA-N 1 2 367.497 2.108 10 0 FEAELO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016301 328294485 /nfs/dbraw/zinc/29/44/85/328294485.db2.gz SIURQDRUFMONAP-GOSISDBHSA-N 1 2 373.497 2.053 10 0 FEAELO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016301 328294487 /nfs/dbraw/zinc/29/44/87/328294487.db2.gz SIURQDRUFMONAP-GOSISDBHSA-N 1 2 373.497 2.053 10 0 FEAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016301 328294489 /nfs/dbraw/zinc/29/44/89/328294489.db2.gz SIURQDRUFMONAP-GOSISDBHSA-N 1 2 373.497 2.053 10 0 FEAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016301 328294491 /nfs/dbraw/zinc/29/44/91/328294491.db2.gz SIURQDRUFMONAP-GOSISDBHSA-N 1 2 373.497 2.053 10 0 FEAELO COC(=O)c1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000192467630 328320569 /nfs/dbraw/zinc/32/05/69/328320569.db2.gz OTXWSBIRGOKFCJ-OAHLLOKOSA-N 1 2 368.433 2.201 10 0 FEAELO COC(=O)c1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000192467630 328320570 /nfs/dbraw/zinc/32/05/70/328320570.db2.gz OTXWSBIRGOKFCJ-OAHLLOKOSA-N 1 2 368.433 2.201 10 0 FEAELO Cc1cc(=O)[nH]c([C@H](C)N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000192576282 328326691 /nfs/dbraw/zinc/32/66/91/328326691.db2.gz HIVCACSFVFLICC-HNNXBMFYSA-N 1 2 358.490 2.321 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cnc(Cl)cn2)c2cccs2)CCO1 ZINC000192808287 328341092 /nfs/dbraw/zinc/34/10/92/328341092.db2.gz CLCZZIJBKMYVEX-YPMHNXCESA-N 1 2 366.874 2.383 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cnc(Cl)cn2)c2cccs2)CCO1 ZINC000192808287 328341094 /nfs/dbraw/zinc/34/10/94/328341094.db2.gz CLCZZIJBKMYVEX-YPMHNXCESA-N 1 2 366.874 2.383 10 0 FEAELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC000193145433 328359515 /nfs/dbraw/zinc/35/95/15/328359515.db2.gz DQBXUQUOODRADQ-CQSZACIVSA-N 1 2 353.401 2.387 10 0 FEAELO CCc1nnc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1C ZINC000195078880 328455135 /nfs/dbraw/zinc/45/51/35/328455135.db2.gz ZGFUZULAVWKMSQ-UHFFFAOYSA-N 1 2 360.437 2.303 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CSc2ccccc2)CC1 ZINC000027927483 324435640 /nfs/dbraw/zinc/43/56/40/324435640.db2.gz ORDXLZDRVGKBQW-UHFFFAOYSA-N 1 2 358.511 2.473 10 0 FEAELO C[C@H](CNC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000044017123 324554911 /nfs/dbraw/zinc/55/49/11/324554911.db2.gz TUZQAAJZJAMIRL-CQSZACIVSA-N 1 2 362.474 2.057 10 0 FEAELO Cc1nnc(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1C ZINC000047541262 324637827 /nfs/dbraw/zinc/63/78/27/324637827.db2.gz QITMDLSIDVVYMS-UHFFFAOYSA-N 1 2 353.392 2.460 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000077736840 325010107 /nfs/dbraw/zinc/01/01/07/325010107.db2.gz ROAVRABMAYWOPY-OAHLLOKOSA-N 1 2 374.485 2.424 10 0 FEAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000078804857 325063230 /nfs/dbraw/zinc/06/32/30/325063230.db2.gz GJDJJOIEWPUIHF-MRXNPFEDSA-N 1 2 354.878 2.274 10 0 FEAELO CCn1cc[nH+]c1C[S@](=O)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000083035353 325210991 /nfs/dbraw/zinc/21/09/91/325210991.db2.gz LLXXTULFPDWTPZ-RUZDIDTESA-N 1 2 360.395 2.131 10 0 FEAELO O=S1(=O)CC[C@@H]([N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C2CC2)C1 ZINC000091683952 325389530 /nfs/dbraw/zinc/38/95/30/325389530.db2.gz CQZGFUOWOWYLRE-CVEARBPZSA-N 1 2 368.886 2.485 10 0 FEAELO O=S1(=O)CC[C@@H]([N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C2CC2)C1 ZINC000091683952 325389531 /nfs/dbraw/zinc/38/95/31/325389531.db2.gz CQZGFUOWOWYLRE-CVEARBPZSA-N 1 2 368.886 2.485 10 0 FEAELO O=C(Cc1cn2ccccc2[nH+]1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000091760384 325392620 /nfs/dbraw/zinc/39/26/20/325392620.db2.gz HLIHSEOXZBGIEQ-RHSMWYFYSA-N 1 2 357.360 2.490 10 0 FEAELO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1Br ZINC000093220839 325438804 /nfs/dbraw/zinc/43/88/04/325438804.db2.gz JQLYCPVJDQDLGI-CQSZACIVSA-N 1 2 353.260 2.304 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccnn2C(C)C)CC1 ZINC000115633833 325969963 /nfs/dbraw/zinc/96/99/63/325969963.db2.gz CLRCTKDZUGNOBG-UHFFFAOYSA-N 1 2 359.478 2.164 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCc2ccccc2F)CC1 ZINC000115642716 325970442 /nfs/dbraw/zinc/97/04/42/325970442.db2.gz JQUOEKUODGEXOE-UHFFFAOYSA-N 1 2 373.476 2.246 10 0 FEAELO Cc1ccc(OC2CCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC000116940516 326042999 /nfs/dbraw/zinc/04/29/99/326042999.db2.gz ISLSEWYAWHVSRY-KRWDZBQOSA-N 1 2 361.486 2.269 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000117369599 326059140 /nfs/dbraw/zinc/05/91/40/326059140.db2.gz MMGGVLDYAZJRIQ-LLVKDONJSA-N 1 2 367.298 2.335 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000117369599 326059142 /nfs/dbraw/zinc/05/91/42/326059142.db2.gz MMGGVLDYAZJRIQ-LLVKDONJSA-N 1 2 367.298 2.335 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117522543 326063921 /nfs/dbraw/zinc/06/39/21/326063921.db2.gz XBDUZBNPPPKADH-NSHDSACASA-N 1 2 374.268 2.111 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000117522543 326063923 /nfs/dbraw/zinc/06/39/23/326063923.db2.gz XBDUZBNPPPKADH-NSHDSACASA-N 1 2 374.268 2.111 10 0 FEAELO Cc1cnn(CCNC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000118076885 326079291 /nfs/dbraw/zinc/07/92/91/326079291.db2.gz HZESNTWNJIRAGY-HNNXBMFYSA-N 1 2 351.401 2.072 10 0 FEAELO COc1c(C[NH+]2CCN(Cc3cc(F)ccc3OC)CC2)c(C)nn1C ZINC000119216871 326138642 /nfs/dbraw/zinc/13/86/42/326138642.db2.gz IHYRERIAHGZDBV-UHFFFAOYSA-N 1 2 362.449 2.203 10 0 FEAELO COc1c(CN2CC[NH+](Cc3cc(F)ccc3OC)CC2)c(C)nn1C ZINC000119216871 326138644 /nfs/dbraw/zinc/13/86/44/326138644.db2.gz IHYRERIAHGZDBV-UHFFFAOYSA-N 1 2 362.449 2.203 10 0 FEAELO CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119242238 326140473 /nfs/dbraw/zinc/14/04/73/326140473.db2.gz YJBXREFJWKLWLM-HOTGVXAUSA-N 1 2 374.510 2.039 10 0 FEAELO CC(=O)N1CCC(CCC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000119897735 326210303 /nfs/dbraw/zinc/21/03/03/326210303.db2.gz VNUNXVZRRZPUII-SFHVURJKSA-N 1 2 360.502 2.240 10 0 FEAELO CCOC(=O)C(C)(C)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000120070161 326227475 /nfs/dbraw/zinc/22/74/75/326227475.db2.gz FJYOBCJMXGAQLE-CQSZACIVSA-N 1 2 368.499 2.169 10 0 FEAELO CCc1cc(=O)[nH]c(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000120090958 326229416 /nfs/dbraw/zinc/22/94/16/326229416.db2.gz HQXCXOYOOYYFNW-HNNXBMFYSA-N 1 2 362.499 2.311 10 0 FEAELO CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000120090958 326229417 /nfs/dbraw/zinc/22/94/17/326229417.db2.gz HQXCXOYOOYYFNW-HNNXBMFYSA-N 1 2 362.499 2.311 10 0 FEAELO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000120468326 326260797 /nfs/dbraw/zinc/26/07/97/326260797.db2.gz WESZMZREEKJBAL-CQSZACIVSA-N 1 2 361.364 2.057 10 0 FEAELO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000120468326 326260798 /nfs/dbraw/zinc/26/07/98/326260798.db2.gz WESZMZREEKJBAL-CQSZACIVSA-N 1 2 361.364 2.057 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cnc4nc(C)cc(C)n34)CC2)n1 ZINC000121386306 326334472 /nfs/dbraw/zinc/33/44/72/326334472.db2.gz KVMGTOMTFFEOSA-OAHLLOKOSA-N 1 2 369.473 2.170 10 0 FEAELO CC(C)c1nn(C)c(N2CCOCC2)c1CNc1ccc(N(C)C)c[nH+]1 ZINC000150898690 326670578 /nfs/dbraw/zinc/67/05/78/326670578.db2.gz UWGOEBWKVNAYIQ-UHFFFAOYSA-N 1 2 358.490 2.453 10 0 FEAELO O=C(NCC[NH+]1CCOCC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151248254 326678041 /nfs/dbraw/zinc/67/80/41/326678041.db2.gz OVHZDPZPHPTAPJ-KRWDZBQOSA-N 1 2 359.470 2.454 10 0 FEAELO Cc1cc(Cl)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000163383231 327050341 /nfs/dbraw/zinc/05/03/41/327050341.db2.gz QOTOLGCRFLAALW-NSHDSACASA-N 1 2 374.268 2.077 10 0 FEAELO CC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1OCC(=O)N(C)C ZINC000164760380 327074265 /nfs/dbraw/zinc/07/42/65/327074265.db2.gz GNZNJFLRLZZQKQ-CVEARBPZSA-N 1 2 357.458 2.321 10 0 FEAELO CCn1c(C)nnc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834693 327101404 /nfs/dbraw/zinc/10/14/04/327101404.db2.gz ICUKMVCOWYGANU-UHFFFAOYSA-N 1 2 371.441 2.186 10 0 FEAELO CC(=O)c1ccccc1OCC[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000170942714 327108947 /nfs/dbraw/zinc/10/89/47/327108947.db2.gz PBMICVSBWGHNEX-UHFFFAOYSA-N 1 2 370.497 2.436 10 0 FEAELO CC(=O)c1ccccc1OCCN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000170942714 327108948 /nfs/dbraw/zinc/10/89/48/327108948.db2.gz PBMICVSBWGHNEX-UHFFFAOYSA-N 1 2 370.497 2.436 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCc1ccc(CO)c(F)c1)C2 ZINC000171870040 327166790 /nfs/dbraw/zinc/16/67/90/327166790.db2.gz YCGFGLGVBSTXJZ-UHFFFAOYSA-N 1 2 360.433 2.443 10 0 FEAELO Cc1ncc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C(C)C)n1 ZINC000172139777 327183317 /nfs/dbraw/zinc/18/33/17/327183317.db2.gz AUPKQGXESPKZBO-IBGZPJMESA-N 1 2 368.481 2.400 10 0 FEAELO C/C=C/c1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000172765765 327217922 /nfs/dbraw/zinc/21/79/22/327217922.db2.gz ISWCZMQYVGBRAX-REMYHPOOSA-N 1 2 360.454 2.040 10 0 FEAELO Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172768502 327217950 /nfs/dbraw/zinc/21/79/50/327217950.db2.gz BDHZDNKFFHCAKU-OAHLLOKOSA-N 1 2 361.467 2.187 10 0 FEAELO CCCCCc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173351420 327251400 /nfs/dbraw/zinc/25/14/00/327251400.db2.gz SKJFRTOBYQQZFC-LJQANCHMSA-N 1 2 373.497 2.291 10 0 FEAELO CCSc1ccc(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000173417285 327254995 /nfs/dbraw/zinc/25/49/95/327254995.db2.gz FPNKBZWXJUWMFH-AWEZNQCLSA-N 1 2 372.498 2.424 10 0 FEAELO CCSc1ccc(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)cn1 ZINC000173417285 327254996 /nfs/dbraw/zinc/25/49/96/327254996.db2.gz FPNKBZWXJUWMFH-AWEZNQCLSA-N 1 2 372.498 2.424 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccc(F)cc2)nc[nH+]1 ZINC000173419947 327255330 /nfs/dbraw/zinc/25/53/30/327255330.db2.gz UBPSCKIDVGKIDQ-INIZCTEOSA-N 1 2 372.448 2.468 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)Cc2ccc(F)cc2)[nH+]cn1 ZINC000173419947 327255331 /nfs/dbraw/zinc/25/53/31/327255331.db2.gz UBPSCKIDVGKIDQ-INIZCTEOSA-N 1 2 372.448 2.468 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2c[nH]c3ccccc23)nc[nH+]1 ZINC000173442981 327257565 /nfs/dbraw/zinc/25/75/65/327257565.db2.gz WXADXWVEFBSFBX-HNNXBMFYSA-N 1 2 364.453 2.327 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2c[nH]c3ccccc23)[nH+]cn1 ZINC000173442981 327257566 /nfs/dbraw/zinc/25/75/66/327257566.db2.gz WXADXWVEFBSFBX-HNNXBMFYSA-N 1 2 364.453 2.327 10 0 FEAELO CCS[C@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000173447646 327257864 /nfs/dbraw/zinc/25/78/64/327257864.db2.gz AGPZFCYIMAHUGY-BBRMVZONSA-N 1 2 351.520 2.381 10 0 FEAELO CCS[C@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000173447646 327257865 /nfs/dbraw/zinc/25/78/65/327257865.db2.gz AGPZFCYIMAHUGY-BBRMVZONSA-N 1 2 351.520 2.381 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)c2ccc(C)o2)nc[nH+]1 ZINC000173464650 327259086 /nfs/dbraw/zinc/25/90/86/327259086.db2.gz GOQQNDGEHUBAPG-KBPBESRZSA-N 1 2 358.446 2.449 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)c2ccc(C)o2)[nH+]cn1 ZINC000173464650 327259087 /nfs/dbraw/zinc/25/90/87/327259087.db2.gz GOQQNDGEHUBAPG-KBPBESRZSA-N 1 2 358.446 2.449 10 0 FEAELO CCc1cc2c(C[N@@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)cc(=O)oc2cc1O ZINC000173660766 327274410 /nfs/dbraw/zinc/27/44/10/327274410.db2.gz ONECDYGBCFPYLQ-KRWDZBQOSA-N 1 2 370.409 2.061 10 0 FEAELO CCc1cc2c(C[N@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)cc(=O)oc2cc1O ZINC000173660766 327274411 /nfs/dbraw/zinc/27/44/11/327274411.db2.gz ONECDYGBCFPYLQ-KRWDZBQOSA-N 1 2 370.409 2.061 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)[nH]1 ZINC000173664352 327274799 /nfs/dbraw/zinc/27/47/99/327274799.db2.gz ULQNVQGNMMCFFC-GOSISDBHSA-N 1 2 369.469 2.313 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)[nH]1 ZINC000173664352 327274801 /nfs/dbraw/zinc/27/48/01/327274801.db2.gz ULQNVQGNMMCFFC-GOSISDBHSA-N 1 2 369.469 2.313 10 0 FEAELO CCCCCc1nnc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)s1 ZINC000173778271 327283631 /nfs/dbraw/zinc/28/36/31/327283631.db2.gz GQBSPBLWIYKSNY-CYBMUJFWSA-N 1 2 353.492 2.209 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000173812504 327285973 /nfs/dbraw/zinc/28/59/73/327285973.db2.gz KZVSGUXSQVBVQN-IUODEOHRSA-N 1 2 353.260 2.242 10 0 FEAELO Cc1c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000173838669 327287912 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CC[C@H]1CN(S(=O)(=O)c2cccc(C)c2Cl)CC[N@@H+]1CCOC ZINC000180309126 547082695 /nfs/dbraw/zinc/08/26/95/547082695.db2.gz QFXFFEFGQWOYTD-AWEZNQCLSA-N 1 2 360.907 2.380 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2cccc(C)c2Cl)CC[N@H+]1CCOC ZINC000180309126 547082699 /nfs/dbraw/zinc/08/26/99/547082699.db2.gz QFXFFEFGQWOYTD-AWEZNQCLSA-N 1 2 360.907 2.380 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cccc4n[nH]nc43)CC2)cs1 ZINC000182764140 547548934 /nfs/dbraw/zinc/54/89/34/547548934.db2.gz SLCKHPZQSXNFQK-UHFFFAOYSA-N 1 2 356.455 2.071 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3cccc4n[nH]nc43)CC2)cs1 ZINC000182764140 547548939 /nfs/dbraw/zinc/54/89/39/547548939.db2.gz SLCKHPZQSXNFQK-UHFFFAOYSA-N 1 2 356.455 2.071 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000184152353 547777783 /nfs/dbraw/zinc/77/77/83/547777783.db2.gz LMZCUZOLKGZLFO-HNNXBMFYSA-N 1 2 358.479 2.007 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC000184152353 547777789 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CC(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000184949193 547905364 /nfs/dbraw/zinc/90/53/64/547905364.db2.gz YOWFURJCUJBDSD-LBPRGKRZSA-N 1 2 351.248 2.426 10 0 FEAELO COCCC1(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000186339438 548121843 /nfs/dbraw/zinc/12/18/43/548121843.db2.gz ZCMQIXQHFHRWDL-KRWDZBQOSA-N 1 2 353.507 2.090 10 0 FEAELO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3COc4ccccc43)c[nH+]2)CCO1 ZINC000194697659 548516845 /nfs/dbraw/zinc/51/68/45/548516845.db2.gz SCIFSIVISVNMOQ-RHSMWYFYSA-N 1 2 368.437 2.240 10 0 FEAELO Cc1ccccc1C(=O)NC1CC[NH+](Cc2nnc(C3CC3)n2C)CC1 ZINC000195077552 548573670 /nfs/dbraw/zinc/57/36/70/548573670.db2.gz JFIBQUKARRKNMO-UHFFFAOYSA-N 1 2 353.470 2.395 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000245431783 548917344 /nfs/dbraw/zinc/91/73/44/548917344.db2.gz AYALEGBUEXHYQP-NEWSRXKRSA-N 1 2 374.481 2.460 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000245431783 548917346 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FEAELO CCc1nnc([C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3C)CCO2)[nH]1 ZINC000129190647 544096385 /nfs/dbraw/zinc/09/63/85/544096385.db2.gz ZQSUFNDQZLJENS-QGZVFWFLSA-N 1 2 352.442 2.435 10 0 FEAELO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000130844717 544167440 /nfs/dbraw/zinc/16/74/40/544167440.db2.gz KFIXDTYOECPTMD-SWLSCSKDSA-N 1 2 355.276 2.075 10 0 FEAELO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000130844717 544167443 /nfs/dbraw/zinc/16/74/43/544167443.db2.gz KFIXDTYOECPTMD-SWLSCSKDSA-N 1 2 355.276 2.075 10 0 FEAELO CC[C@H](CCO)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000131289192 544184011 /nfs/dbraw/zinc/18/40/11/544184011.db2.gz HHHCCIQHLYPRBP-OAGGEKHMSA-N 1 2 369.531 2.218 10 0 FEAELO CC[C@H](CCO)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000131289192 544184013 /nfs/dbraw/zinc/18/40/13/544184013.db2.gz HHHCCIQHLYPRBP-OAGGEKHMSA-N 1 2 369.531 2.218 10 0 FEAELO CCCC[C@H](NC(=O)NCC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000132830743 544245474 /nfs/dbraw/zinc/24/54/74/544245474.db2.gz DNUGCTRKZHNGQN-AWEZNQCLSA-N 1 2 363.506 2.306 10 0 FEAELO CC[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000132445020 544231467 /nfs/dbraw/zinc/23/14/67/544231467.db2.gz VRIJSVZJTMNSBX-JKSUJKDBSA-N 1 2 374.403 2.008 10 0 FEAELO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1F ZINC000151107312 544506068 /nfs/dbraw/zinc/50/60/68/544506068.db2.gz IVCRMRUMXWDVGY-MRXNPFEDSA-N 1 2 361.417 2.327 10 0 FEAELO COC(=O)c1ccc(C[N@H+]2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1F ZINC000151107312 544506071 /nfs/dbraw/zinc/50/60/71/544506071.db2.gz IVCRMRUMXWDVGY-MRXNPFEDSA-N 1 2 361.417 2.327 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CC2)cn1 ZINC000151700706 544571294 /nfs/dbraw/zinc/57/12/94/544571294.db2.gz AZCRBAKLIFEAOI-LJQANCHMSA-N 1 2 372.444 2.080 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CC2)cn1 ZINC000151700706 544571297 /nfs/dbraw/zinc/57/12/97/544571297.db2.gz AZCRBAKLIFEAOI-LJQANCHMSA-N 1 2 372.444 2.080 10 0 FEAELO COc1ccccc1[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000151883104 544591748 /nfs/dbraw/zinc/59/17/48/544591748.db2.gz GAUZYINANBAIOL-KDOFPFPSSA-N 1 2 359.426 2.007 10 0 FEAELO COc1ccccc1[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000151883104 544591751 /nfs/dbraw/zinc/59/17/51/544591751.db2.gz GAUZYINANBAIOL-KDOFPFPSSA-N 1 2 359.426 2.007 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccnc(Cl)c2)CC1 ZINC000153514292 544785469 /nfs/dbraw/zinc/78/54/69/544785469.db2.gz VCTQDEKGVFADIS-SNAWJCMRSA-N 1 2 373.888 2.443 10 0 FEAELO COc1cc(OC)cc([C@@H](NC(=O)C[C@@H](O)C(C)C)c2[nH+]ccn2C)c1 ZINC000154776529 544948107 /nfs/dbraw/zinc/94/81/07/544948107.db2.gz ITARXDRKVGDKRU-SJLPKXTDSA-N 1 2 361.442 2.050 10 0 FEAELO Cc1ccc([C@H](CNC(=O)c2cc(C)[nH]c(=O)c2)[NH+]2CCOCC2)s1 ZINC000180522571 327689322 /nfs/dbraw/zinc/68/93/22/327689322.db2.gz BHAWKXIOPYWMHP-HNNXBMFYSA-N 1 2 361.467 2.269 10 0 FEAELO C[C@@H](CNC(=O)c1csc(Cc2cccc(F)c2)n1)[NH+]1CCOCC1 ZINC000183227651 327807858 /nfs/dbraw/zinc/80/78/58/327807858.db2.gz MKYRRQICNAPTDB-ZDUSSCGKSA-N 1 2 363.458 2.324 10 0 FEAELO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000187480511 328028826 /nfs/dbraw/zinc/02/88/26/328028826.db2.gz WSSAHFOVFUJSRJ-UKRRQHHQSA-N 1 2 372.387 2.406 10 0 FEAELO C[C@@H]1CCC[C@H]1CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000187646909 328037556 /nfs/dbraw/zinc/03/75/56/328037556.db2.gz PCVQQFPZZTYRTF-QYZOEREBSA-N 1 2 360.498 2.397 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)[nH]n2)c(C)c1 ZINC000189935508 328177093 /nfs/dbraw/zinc/17/70/93/328177093.db2.gz XFVDWDOFNNORBD-OXQOHEQNSA-N 1 2 368.481 2.486 10 0 FEAELO CO[C@H](C)[C@H](C)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000190236497 328196196 /nfs/dbraw/zinc/19/61/96/328196196.db2.gz CGLAJUFMRKHAJA-RRFJBIMHSA-N 1 2 355.504 2.152 10 0 FEAELO CCCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000190768402 328231369 /nfs/dbraw/zinc/23/13/69/328231369.db2.gz YOWGPUZQPZODBO-MRXNPFEDSA-N 1 2 356.426 2.302 10 0 FEAELO CCCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000190766567 328231390 /nfs/dbraw/zinc/23/13/90/328231390.db2.gz BWDWUZJXMFGXMG-MRXNPFEDSA-N 1 2 356.426 2.302 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CCc1ccncn1 ZINC000191274303 328257566 /nfs/dbraw/zinc/25/75/66/328257566.db2.gz KZPZQNMMZGQGMI-INIZCTEOSA-N 1 2 360.483 2.003 10 0 FEAELO COc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000191916940 328288582 /nfs/dbraw/zinc/28/85/82/328288582.db2.gz WDOJBEFAQIUVAV-SWLSCSKDSA-N 1 2 370.396 2.089 10 0 FEAELO COc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(OC(C)C)c1 ZINC000191917078 328288671 /nfs/dbraw/zinc/28/86/71/328288671.db2.gz JGXWWINIQNPHAT-QAPCUYQASA-N 1 2 362.470 2.275 10 0 FEAELO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000191913007 328288422 /nfs/dbraw/zinc/28/84/22/328288422.db2.gz RPBDQNIHZGGDII-UHFFFAOYSA-N 1 2 366.433 2.409 10 0 FEAELO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000191913007 328288423 /nfs/dbraw/zinc/28/84/23/328288423.db2.gz RPBDQNIHZGGDII-UHFFFAOYSA-N 1 2 366.433 2.409 10 0 FEAELO CC(C)c1nnc2n1C[C@H](Nc1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC000192296037 328311877 /nfs/dbraw/zinc/31/18/77/328311877.db2.gz ORQPXGAGCQYEIN-CYBMUJFWSA-N 1 2 359.503 2.172 10 0 FEAELO CC(C)c1nnc2n1C[C@H](Nc1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC000192296037 328311878 /nfs/dbraw/zinc/31/18/78/328311878.db2.gz ORQPXGAGCQYEIN-CYBMUJFWSA-N 1 2 359.503 2.172 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C)cc2F)C[C@@H]1C ZINC000192670447 328332262 /nfs/dbraw/zinc/33/22/62/328332262.db2.gz DKRHUFVKIQAPIW-HNNXBMFYSA-N 1 2 358.479 2.007 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2ccc(C)cc2F)C[C@@H]1C ZINC000192670447 328332265 /nfs/dbraw/zinc/33/22/65/328332265.db2.gz DKRHUFVKIQAPIW-HNNXBMFYSA-N 1 2 358.479 2.007 10 0 FEAELO CCOC(=O)C[N@H+](C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000193534410 328380618 /nfs/dbraw/zinc/38/06/18/328380618.db2.gz WKXABUZDSWKPAJ-CQSZACIVSA-N 1 2 372.259 2.216 10 0 FEAELO CCOC(=O)C[N@@H+](C[C@@H](O)COc1cccc(Br)c1)C1CC1 ZINC000193534410 328380620 /nfs/dbraw/zinc/38/06/20/328380620.db2.gz WKXABUZDSWKPAJ-CQSZACIVSA-N 1 2 372.259 2.216 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000194422196 328423774 /nfs/dbraw/zinc/42/37/74/328423774.db2.gz RZVGYYJJXAFECX-CYBMUJFWSA-N 1 2 367.475 2.183 10 0 FEAELO CC(C)c1nnc2n1C[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000195287438 328468496 /nfs/dbraw/zinc/46/84/96/328468496.db2.gz VRUFNDZFHJKYLZ-OAHLLOKOSA-N 1 2 350.426 2.332 10 0 FEAELO COc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cc1F ZINC000026402108 324427073 /nfs/dbraw/zinc/42/70/73/324427073.db2.gz AJWPKQPRHMDSPX-YOEHRIQHSA-N 1 2 365.449 2.229 10 0 FEAELO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000045162366 324570619 /nfs/dbraw/zinc/57/06/19/324570619.db2.gz BGWQHYCYQRKIGT-INIZCTEOSA-N 1 2 362.861 2.497 10 0 FEAELO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551278 325135638 /nfs/dbraw/zinc/13/56/38/325135638.db2.gz DIEJULIZDYMLDP-WMLDXEAASA-N 1 2 355.442 2.099 10 0 FEAELO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000091556830 325387660 /nfs/dbraw/zinc/38/76/60/325387660.db2.gz LLJSHAPIAUHSSM-UHFFFAOYSA-N 1 2 374.510 2.161 10 0 FEAELO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000091556830 325387662 /nfs/dbraw/zinc/38/76/62/325387662.db2.gz LLJSHAPIAUHSSM-UHFFFAOYSA-N 1 2 374.510 2.161 10 0 FEAELO CCNC(=O)NC1(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CCCC1 ZINC000112665707 325797627 /nfs/dbraw/zinc/79/76/27/325797627.db2.gz VGPYIIMBQMVDAO-UHFFFAOYSA-N 1 2 361.490 2.060 10 0 FEAELO Cn1cc([C@H]2CC[N@H+](CC(=O)N(Cc3ccco3)CC(F)(F)F)C2)cn1 ZINC000116310720 326005350 /nfs/dbraw/zinc/00/53/50/326005350.db2.gz WGUCWSPBVVCNFC-ZDUSSCGKSA-N 1 2 370.375 2.394 10 0 FEAELO Cn1cc([C@H]2CC[N@@H+](CC(=O)N(Cc3ccco3)CC(F)(F)F)C2)cn1 ZINC000116310720 326005354 /nfs/dbraw/zinc/00/53/54/326005354.db2.gz WGUCWSPBVVCNFC-ZDUSSCGKSA-N 1 2 370.375 2.394 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cs1 ZINC000116405444 326011518 /nfs/dbraw/zinc/01/15/18/326011518.db2.gz UUKBGQVBMXIOJT-UHFFFAOYSA-N 1 2 373.482 2.290 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cs1 ZINC000116405444 326011519 /nfs/dbraw/zinc/01/15/19/326011519.db2.gz UUKBGQVBMXIOJT-UHFFFAOYSA-N 1 2 373.482 2.290 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cs1 ZINC000116417951 326012387 /nfs/dbraw/zinc/01/23/87/326012387.db2.gz WOAUYGKKTRVSTE-BBRMVZONSA-N 1 2 352.504 2.236 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cs1 ZINC000116417951 326012389 /nfs/dbraw/zinc/01/23/89/326012389.db2.gz WOAUYGKKTRVSTE-BBRMVZONSA-N 1 2 352.504 2.236 10 0 FEAELO Cc1ccccc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117312142 326056822 /nfs/dbraw/zinc/05/68/22/326056822.db2.gz AGIOXCMDEWKBRQ-GOSISDBHSA-N 1 2 354.450 2.193 10 0 FEAELO CCC[C@H](CC)NC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117486432 326062806 /nfs/dbraw/zinc/06/28/06/326062806.db2.gz WVZWDGDYMRDLCB-ZWKOTPCHSA-N 1 2 363.502 2.332 10 0 FEAELO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000118115828 326083041 /nfs/dbraw/zinc/08/30/41/326083041.db2.gz IWWSUVOMPJASKO-HNNXBMFYSA-N 1 2 361.486 2.319 10 0 FEAELO CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000118115828 326083045 /nfs/dbraw/zinc/08/30/45/326083045.db2.gz IWWSUVOMPJASKO-HNNXBMFYSA-N 1 2 361.486 2.319 10 0 FEAELO CCOc1ccc(NC(=O)CCS(=O)(=O)Cc2[nH+]ccn2CC)cc1 ZINC000119216887 326138417 /nfs/dbraw/zinc/13/84/17/326138417.db2.gz UJVICZZBEQCUEN-UHFFFAOYSA-N 1 2 365.455 2.245 10 0 FEAELO C[C@@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000119601497 326179785 /nfs/dbraw/zinc/17/97/85/326179785.db2.gz VHEUQYHWVDAXDT-SWLSCSKDSA-N 1 2 355.276 2.390 10 0 FEAELO C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1 ZINC000119601497 326179787 /nfs/dbraw/zinc/17/97/87/326179787.db2.gz VHEUQYHWVDAXDT-SWLSCSKDSA-N 1 2 355.276 2.390 10 0 FEAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000120140078 326234170 /nfs/dbraw/zinc/23/41/70/326234170.db2.gz GSKDIDLLGUPBKD-INIZCTEOSA-N 1 2 355.438 2.215 10 0 FEAELO O=C1[C@@H]([N@@H+]2CCCN(c3cccnn3)CC2)CCN1c1c(F)cccc1F ZINC000120384911 326254364 /nfs/dbraw/zinc/25/43/64/326254364.db2.gz ZPLQTYXGSMDYHG-INIZCTEOSA-N 1 2 373.407 2.072 10 0 FEAELO O=C1[C@@H]([N@H+]2CCCN(c3cccnn3)CC2)CCN1c1c(F)cccc1F ZINC000120384911 326254366 /nfs/dbraw/zinc/25/43/66/326254366.db2.gz ZPLQTYXGSMDYHG-INIZCTEOSA-N 1 2 373.407 2.072 10 0 FEAELO C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000120892952 326297202 /nfs/dbraw/zinc/29/72/02/326297202.db2.gz AHLGQMYGLGGFLA-ZBFHGGJFSA-N 1 2 352.475 2.487 10 0 FEAELO CCc1ccccc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000126250526 326485647 /nfs/dbraw/zinc/48/56/47/326485647.db2.gz RBVRNPRTIQIHSC-LJQANCHMSA-N 1 2 368.477 2.447 10 0 FEAELO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000126734440 326494297 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371.403 2.449 10 0 FEAELO C[C@@H](NC(=O)N1CCC[C@@]12CCOC2=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000187352712 328019019 /nfs/dbraw/zinc/01/90/19/328019019.db2.gz BUMQNZGXRZWCFA-KUHUBIRLSA-N 1 2 354.410 2.424 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CCOCC(F)(F)C(F)F)CC2)s1 ZINC000189144620 328131080 /nfs/dbraw/zinc/13/10/80/328131080.db2.gz DCRJHBQZOBFVMT-UHFFFAOYSA-N 1 2 355.401 2.486 10 0 FEAELO Cc1ncc(CN2CC[NH+](CCOCC(F)(F)C(F)F)CC2)s1 ZINC000189144620 328131081 /nfs/dbraw/zinc/13/10/81/328131081.db2.gz DCRJHBQZOBFVMT-UHFFFAOYSA-N 1 2 355.401 2.486 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000189320353 328140696 /nfs/dbraw/zinc/14/06/96/328140696.db2.gz OOLJFLMCZXHFRQ-IXDOHACOSA-N 1 2 361.442 2.197 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](O)COc2ccc(C)cc2C)C1 ZINC000189320353 328140697 /nfs/dbraw/zinc/14/06/97/328140697.db2.gz OOLJFLMCZXHFRQ-IXDOHACOSA-N 1 2 361.442 2.197 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)cn1 ZINC000190793107 328232820 /nfs/dbraw/zinc/23/28/20/328232820.db2.gz ODGTWSRAUCIWPB-SFHVURJKSA-N 1 2 355.394 2.289 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CCO2)cn1 ZINC000190793107 328232822 /nfs/dbraw/zinc/23/28/22/328232822.db2.gz ODGTWSRAUCIWPB-SFHVURJKSA-N 1 2 355.394 2.289 10 0 FEAELO CC(C)(C)n1cc(C[NH+]2CCN(Cc3cn(C(C)(C)C)nn3)CC2)cn1 ZINC000191339575 328261097 /nfs/dbraw/zinc/26/10/97/328261097.db2.gz LVALIIIVGVTAKT-UHFFFAOYSA-N 1 2 359.522 2.302 10 0 FEAELO CC[C@H](C(=O)OC(C)(C)C)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000192004546 328293572 /nfs/dbraw/zinc/29/35/72/328293572.db2.gz BHQZUNBBPKKGKG-QGZVFWFLSA-N 1 2 350.507 2.275 10 0 FEAELO Cc1csc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1Br ZINC000192050825 328297016 /nfs/dbraw/zinc/29/70/16/328297016.db2.gz FFRKTXHENMDAGL-NSHDSACASA-N 1 2 359.289 2.366 10 0 FEAELO CCCCOC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000193381650 328371893 /nfs/dbraw/zinc/37/18/93/328371893.db2.gz MDSPBQLUECCPPC-KRWDZBQOSA-N 1 2 354.878 2.162 10 0 FEAELO CCCCOC[C@@H](O)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000193381650 328371894 /nfs/dbraw/zinc/37/18/94/328371894.db2.gz MDSPBQLUECCPPC-KRWDZBQOSA-N 1 2 354.878 2.162 10 0 FEAELO C[C@@H](CNC(=O)NCCSCc1ccccc1F)[NH+]1CCOCC1 ZINC000048094980 324654026 /nfs/dbraw/zinc/65/40/26/324654026.db2.gz SBASJVBGTAOYMG-AWEZNQCLSA-N 1 2 355.479 2.079 10 0 FEAELO C[C@@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471234 324946277 /nfs/dbraw/zinc/94/62/77/324946277.db2.gz DJRFFZMCRFUNDW-OAHLLOKOSA-N 1 2 369.469 2.443 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000079976674 325112070 /nfs/dbraw/zinc/11/20/70/325112070.db2.gz GNXVYTNMDCFOGP-COXVUDFISA-N 1 2 366.408 2.387 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000079976674 325112073 /nfs/dbraw/zinc/11/20/73/325112073.db2.gz GNXVYTNMDCFOGP-COXVUDFISA-N 1 2 366.408 2.387 10 0 FEAELO C[C@@H](NC(=O)NCc1ccc(C(N)=O)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000083235330 325216691 /nfs/dbraw/zinc/21/66/91/325216691.db2.gz NOZYYTHMDBFFSX-GFCCVEGCSA-N 1 2 353.382 2.125 10 0 FEAELO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)c[nH+]1 ZINC000083699580 325221918 /nfs/dbraw/zinc/22/19/18/325221918.db2.gz CPGHMZIDLFZXOM-OAHLLOKOSA-N 1 2 357.462 2.162 10 0 FEAELO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081973 325577590 /nfs/dbraw/zinc/57/75/90/325577590.db2.gz UDXJRAATVZNEAP-LBPRGKRZSA-N 1 2 360.849 2.429 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(CCN1C(=O)c3ccccc3C1=O)C2 ZINC000106372542 325595597 /nfs/dbraw/zinc/59/55/97/325595597.db2.gz IOHOOKABGIUGDV-UHFFFAOYSA-N 1 2 352.438 2.198 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCc2ccccc2O)CC1 ZINC000115389148 325955374 /nfs/dbraw/zinc/95/53/74/325955374.db2.gz IEUSXEPEMKKPTP-UHFFFAOYSA-N 1 2 356.470 2.020 10 0 FEAELO COc1ccc(CNC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000115633856 325970420 /nfs/dbraw/zinc/97/04/20/325970420.db2.gz XXCWKMPVIWDXJO-UHFFFAOYSA-N 1 2 371.485 2.073 10 0 FEAELO CCC[C@@H](CC)NC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117486424 326062475 /nfs/dbraw/zinc/06/24/75/326062475.db2.gz WVZWDGDYMRDLCB-MSOLQXFVSA-N 1 2 363.502 2.332 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)Oc3cccnc3)CC2)cn1 ZINC000117792974 326071144 /nfs/dbraw/zinc/07/11/44/326071144.db2.gz RNWXYNJXGSQMOX-KRWDZBQOSA-N 1 2 371.485 2.190 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)Oc3cccnc3)CC2)cn1 ZINC000117792974 326071146 /nfs/dbraw/zinc/07/11/46/326071146.db2.gz RNWXYNJXGSQMOX-KRWDZBQOSA-N 1 2 371.485 2.190 10 0 FEAELO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)n1CC(F)(F)F ZINC000119948524 326215034 /nfs/dbraw/zinc/21/50/34/326215034.db2.gz NWEPWSXMXXLLCA-CQSZACIVSA-N 1 2 359.392 2.403 10 0 FEAELO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)n1CC(F)(F)F ZINC000119948524 326215037 /nfs/dbraw/zinc/21/50/37/326215037.db2.gz NWEPWSXMXXLLCA-CQSZACIVSA-N 1 2 359.392 2.403 10 0 FEAELO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000121368568 326333089 /nfs/dbraw/zinc/33/30/89/326333089.db2.gz CVGGSIPWOGGZHT-DYVFJYSZSA-N 1 2 358.417 2.009 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)C[C@H]1[NH+]1CCOCC1 ZINC000121681415 326357861 /nfs/dbraw/zinc/35/78/61/326357861.db2.gz MMXBXKBFQJLNNP-SUMWQHHRSA-N 1 2 359.401 2.273 10 0 FEAELO C[C@@H]1CC[C@H](CC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C1 ZINC000130567463 326559192 /nfs/dbraw/zinc/55/91/92/326559192.db2.gz WLPBPMQBBKZQQI-QYZOEREBSA-N 1 2 360.498 2.397 10 0 FEAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152944216 326720316 /nfs/dbraw/zinc/72/03/16/326720316.db2.gz NVXDTNCDOJVQCF-BZUAXINKSA-N 1 2 374.485 2.470 10 0 FEAELO Cc1ccc2oc(N3CCN(C(=O)[C@H]4CCn5cc[nH+]c5C4)CC3)nc2c1 ZINC000161613029 327004321 /nfs/dbraw/zinc/00/43/21/327004321.db2.gz UCHYALNQVDVBMH-HNNXBMFYSA-N 1 2 365.437 2.244 10 0 FEAELO C[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[NH+]1CCOCC1 ZINC000162210736 327019772 /nfs/dbraw/zinc/01/97/72/327019772.db2.gz WKPLBQFWRVERNW-JTQLQIEISA-N 1 2 353.373 2.343 10 0 FEAELO C[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[NH+]1CCOCC1 ZINC000162210736 327019774 /nfs/dbraw/zinc/01/97/74/327019774.db2.gz WKPLBQFWRVERNW-JTQLQIEISA-N 1 2 353.373 2.343 10 0 FEAELO Cc1cccc2c(O)c(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)cnc12 ZINC000164234490 327066951 /nfs/dbraw/zinc/06/69/51/327066951.db2.gz WEMLKJDKXAMLQO-WMLDXEAASA-N 1 2 355.438 2.042 10 0 FEAELO COCCN1CC[N@@H+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000170939202 327108510 /nfs/dbraw/zinc/10/85/10/327108510.db2.gz KPCLQYCSCLLFHI-OALUTQOASA-N 1 2 361.530 2.465 10 0 FEAELO COCCN1CC[N@H+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000170939202 327108512 /nfs/dbraw/zinc/10/85/12/327108512.db2.gz KPCLQYCSCLLFHI-OALUTQOASA-N 1 2 361.530 2.465 10 0 FEAELO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000171408030 327137693 /nfs/dbraw/zinc/13/76/93/327137693.db2.gz SIKMDHLUSDPQKG-CQSZACIVSA-N 1 2 374.441 2.288 10 0 FEAELO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000171408030 327137694 /nfs/dbraw/zinc/13/76/94/327137694.db2.gz SIKMDHLUSDPQKG-CQSZACIVSA-N 1 2 374.441 2.288 10 0 FEAELO CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000171517884 327143702 /nfs/dbraw/zinc/14/37/02/327143702.db2.gz RWKQNCDSEIRPGJ-SFHVURJKSA-N 1 2 357.454 2.482 10 0 FEAELO CC(=O)c1ccccc1OCC[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000171517884 327143703 /nfs/dbraw/zinc/14/37/03/327143703.db2.gz RWKQNCDSEIRPGJ-SFHVURJKSA-N 1 2 357.454 2.482 10 0 FEAELO C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000171663455 327153147 /nfs/dbraw/zinc/15/31/47/327153147.db2.gz NYOFMWHKGDZZJW-HNAYVOBHSA-N 1 2 374.506 2.440 10 0 FEAELO CN(C)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000171704800 327156197 /nfs/dbraw/zinc/15/61/97/327156197.db2.gz APAVUSRYDNHGIZ-GFCCVEGCSA-N 1 2 360.380 2.224 10 0 FEAELO CN(C)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000171704800 327156199 /nfs/dbraw/zinc/15/61/99/327156199.db2.gz APAVUSRYDNHGIZ-GFCCVEGCSA-N 1 2 360.380 2.224 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000172105331 327180934 /nfs/dbraw/zinc/18/09/34/327180934.db2.gz QZEDMQMNTMLHNO-UHFFFAOYSA-N 1 2 353.470 2.337 10 0 FEAELO CN(c1ccccc1)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000172743929 327216437 /nfs/dbraw/zinc/21/64/37/327216437.db2.gz DXDHCSFSHHQLAD-LJQANCHMSA-N 1 2 366.465 2.396 10 0 FEAELO O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750706 327216880 /nfs/dbraw/zinc/21/68/80/327216880.db2.gz JVSJAOAYFLALBS-LBPRGKRZSA-N 1 2 359.253 2.305 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccccc2F)nc[nH+]1 ZINC000173289940 327247468 /nfs/dbraw/zinc/24/74/68/327247468.db2.gz VFLVMVGDDKHXEO-CQSZACIVSA-N 1 2 358.421 2.126 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccccc2F)[nH+]cn1 ZINC000173289940 327247470 /nfs/dbraw/zinc/24/74/70/327247470.db2.gz VFLVMVGDDKHXEO-CQSZACIVSA-N 1 2 358.421 2.126 10 0 FEAELO C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173337218 327250479 /nfs/dbraw/zinc/25/04/79/327250479.db2.gz QIBZVMYYOXAVTR-MJGOQNOKSA-N 1 2 361.486 2.098 10 0 FEAELO C[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000173411744 327254160 /nfs/dbraw/zinc/25/41/60/327254160.db2.gz QUXIJWNLMBQIEA-QWRGUYRKSA-N 1 2 361.305 2.451 10 0 FEAELO C[C@H](CNC(=O)[C@H](C)c1ccc(Br)s1)[NH+]1CCOCC1 ZINC000173411781 327254394 /nfs/dbraw/zinc/25/43/94/327254394.db2.gz QUXIJWNLMBQIEA-GHMZBOCLSA-N 1 2 361.305 2.451 10 0 FEAELO CCOc1ccc(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000173419284 327254820 /nfs/dbraw/zinc/25/48/20/327254820.db2.gz QBEVROMSKTTYOG-OAHLLOKOSA-N 1 2 355.442 2.316 10 0 FEAELO CCOc1ccc(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)cc1 ZINC000173419284 327254821 /nfs/dbraw/zinc/25/48/21/327254821.db2.gz QBEVROMSKTTYOG-OAHLLOKOSA-N 1 2 355.442 2.316 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CNc2c(C)cccc2C)nc[nH+]1 ZINC000173428887 327256437 /nfs/dbraw/zinc/25/64/37/327256437.db2.gz VOVSDYKEBNXCCQ-MRXNPFEDSA-N 1 2 368.485 2.332 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CNc2c(C)cccc2C)[nH+]cn1 ZINC000173428887 327256438 /nfs/dbraw/zinc/25/64/38/327256438.db2.gz VOVSDYKEBNXCCQ-MRXNPFEDSA-N 1 2 368.485 2.332 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3cc[nH]c3c2)nc[nH+]1 ZINC000173435957 327256830 /nfs/dbraw/zinc/25/68/30/327256830.db2.gz OPKFSCVTMGBBIL-OAHLLOKOSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3cc[nH]c3c2)[nH+]cn1 ZINC000173435957 327256831 /nfs/dbraw/zinc/25/68/31/327256831.db2.gz OPKFSCVTMGBBIL-OAHLLOKOSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2csc(C3CC3)n2)nc[nH+]1 ZINC000173447339 327257853 /nfs/dbraw/zinc/25/78/53/327257853.db2.gz FWOQOVQVBOUOQL-LBPRGKRZSA-N 1 2 358.471 2.251 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2csc(C3CC3)n2)[nH+]cn1 ZINC000173447339 327257854 /nfs/dbraw/zinc/25/78/54/327257854.db2.gz FWOQOVQVBOUOQL-LBPRGKRZSA-N 1 2 358.471 2.251 10 0 FEAELO CCOc1c(F)cccc1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173448659 327258107 /nfs/dbraw/zinc/25/81/07/327258107.db2.gz FAZWIODMGOAFKD-ZDUSSCGKSA-N 1 2 373.432 2.455 10 0 FEAELO CCOc1c(F)cccc1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173448659 327258108 /nfs/dbraw/zinc/25/81/08/327258108.db2.gz FAZWIODMGOAFKD-ZDUSSCGKSA-N 1 2 373.432 2.455 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)n1 ZINC000173482887 327260475 /nfs/dbraw/zinc/26/04/75/327260475.db2.gz JKFBRRMVGKWTTL-HUUCEWRRSA-N 1 2 352.504 2.061 10 0 FEAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(N(C)C)cc1 ZINC000173622166 327271769 /nfs/dbraw/zinc/27/17/69/327271769.db2.gz QXDPQSLWDQAUES-ZIAGYGMSSA-N 1 2 356.474 2.358 10 0 FEAELO c1ncn(C[C@@H]2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)n1 ZINC000173752602 327281421 /nfs/dbraw/zinc/28/14/21/327281421.db2.gz CIDCHWPEFDHFGD-QGZVFWFLSA-N 1 2 352.442 2.359 10 0 FEAELO c1ncn(C[C@@H]2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)n1 ZINC000173752602 327281422 /nfs/dbraw/zinc/28/14/22/327281422.db2.gz CIDCHWPEFDHFGD-QGZVFWFLSA-N 1 2 352.442 2.359 10 0 FEAELO O=C(NCc1ccccc1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173796701 327285022 /nfs/dbraw/zinc/28/50/22/327285022.db2.gz HGHXBKVXCUFFSZ-AWEZNQCLSA-N 1 2 368.275 2.065 10 0 FEAELO O=C(NCCCCOCc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173797504 327285057 /nfs/dbraw/zinc/28/50/57/327285057.db2.gz KTTGDGPOZADCCH-IBGZPJMESA-N 1 2 361.486 2.100 10 0 FEAELO C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173807811 327285507 /nfs/dbraw/zinc/28/55/07/327285507.db2.gz YCUUXXZQAIGFIK-KDOFPFPSSA-N 1 2 374.872 2.318 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(Br)cs2)C[C@@H]1[NH+]1CCOCC1 ZINC000173819162 327286218 /nfs/dbraw/zinc/28/62/18/327286218.db2.gz CLJGKICUJOIUEU-JQWIXIFHSA-N 1 2 359.289 2.303 10 0 FEAELO Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173864344 327289618 /nfs/dbraw/zinc/28/96/18/327289618.db2.gz WJMFUNOQIPWYSL-RHSMWYFYSA-N 1 2 355.438 2.443 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000173873429 327290280 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2.086 10 0 FEAELO CCCCN(CCO)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174983716 327365351 /nfs/dbraw/zinc/36/53/51/327365351.db2.gz FZQAQBGVUDTYLF-INIZCTEOSA-N 1 2 369.531 2.234 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NC[C@H](C)C[C@@H](C)O)[NH+]2CCOCC2)s1 ZINC000174990548 327366177 /nfs/dbraw/zinc/36/61/77/327366177.db2.gz JZGRLNMHHGCKQO-FMKPAKJESA-N 1 2 369.531 2.136 10 0 FEAELO CCO[C@H](C)c1nc(CN(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cs1 ZINC000175008248 327367835 /nfs/dbraw/zinc/36/78/35/327367835.db2.gz CZSVXIQMLOZTFO-ZIAGYGMSSA-N 1 2 370.519 2.103 10 0 FEAELO CC[C@@H]1COCCN1C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175029451 327369274 /nfs/dbraw/zinc/36/92/74/327369274.db2.gz JQJRWGOQKIOTAS-BZUAXINKSA-N 1 2 367.515 2.330 10 0 FEAELO CC[C@@H]1COCCN1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175029451 327369276 /nfs/dbraw/zinc/36/92/76/327369276.db2.gz JQJRWGOQKIOTAS-BZUAXINKSA-N 1 2 367.515 2.330 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(Cl)nc2)nc[nH+]1 ZINC000175504235 327396593 /nfs/dbraw/zinc/39/65/93/327396593.db2.gz CQJBICCSIDOAAJ-GFCCVEGCSA-N 1 2 361.837 2.357 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(Cl)nc2)[nH+]cn1 ZINC000175504235 327396595 /nfs/dbraw/zinc/39/65/95/327396595.db2.gz CQJBICCSIDOAAJ-GFCCVEGCSA-N 1 2 361.837 2.357 10 0 FEAELO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N[C@H]1CCCn2ncnc21 ZINC000177364771 327516783 /nfs/dbraw/zinc/51/67/83/327516783.db2.gz ZDEXKCDPAVBSFY-INIZCTEOSA-N 1 2 369.473 2.388 10 0 FEAELO C[C@H]1CN(C(=O)Nc2ccn(Cc3ccccc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177776691 327544203 /nfs/dbraw/zinc/54/42/03/327544203.db2.gz LVXHAIQRNREWDZ-WMZOPIPTSA-N 1 2 369.469 2.116 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCc1cccnc1 ZINC000178505097 327589199 /nfs/dbraw/zinc/58/91/99/327589199.db2.gz AFHINBCUQLQHLF-QGZVFWFLSA-N 1 2 374.510 2.401 10 0 FEAELO COCCCCNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178546872 327591589 /nfs/dbraw/zinc/59/15/89/327591589.db2.gz PCNJMKRGRAUYCM-OAHLLOKOSA-N 1 2 355.504 2.156 10 0 FEAELO COC[C@@H](NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000275767167 330086444 /nfs/dbraw/zinc/08/64/44/330086444.db2.gz XLFKAPUMZPOJKX-IAGOWNOFSA-N 1 2 374.485 2.270 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(OCC2CC2)c(F)c1 ZINC000155392542 545520491 /nfs/dbraw/zinc/52/04/91/545520491.db2.gz PILSIEFEBWDEFR-CJNGLKHVSA-N 1 2 365.449 2.305 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(OCC2CC2)c(F)c1 ZINC000155392542 545520493 /nfs/dbraw/zinc/52/04/93/545520493.db2.gz PILSIEFEBWDEFR-CJNGLKHVSA-N 1 2 365.449 2.305 10 0 FEAELO O=C1NCC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000156259030 545611661 /nfs/dbraw/zinc/61/16/61/545611661.db2.gz LPAUPYLDLDTFIG-RBUKOAKNSA-N 1 2 374.868 2.391 10 0 FEAELO O=C1NCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000156259030 545611662 /nfs/dbraw/zinc/61/16/62/545611662.db2.gz LPAUPYLDLDTFIG-RBUKOAKNSA-N 1 2 374.868 2.391 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@H](C)c2c(C)noc2C)nc[nH+]1 ZINC000156799932 545662700 /nfs/dbraw/zinc/66/27/00/545662700.db2.gz QJQILHPFECWUJR-WFASDCNBSA-N 1 2 372.473 2.402 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@H](C)c2c(C)noc2C)[nH+]cn1 ZINC000156799932 545662707 /nfs/dbraw/zinc/66/27/07/545662707.db2.gz QJQILHPFECWUJR-WFASDCNBSA-N 1 2 372.473 2.402 10 0 FEAELO O=C(Nc1ccsc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000157239467 545716201 /nfs/dbraw/zinc/71/62/01/545716201.db2.gz MHSVICAOQLEMFY-MRXNPFEDSA-N 1 2 361.467 2.338 10 0 FEAELO Cc1cnn(CCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000159211124 545932132 /nfs/dbraw/zinc/93/21/32/545932132.db2.gz BREWCDPAYSCZKU-UHFFFAOYSA-N 1 2 354.414 2.289 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3ccccc3)CC2)nc[nH+]1 ZINC000173425320 546281621 /nfs/dbraw/zinc/28/16/21/546281621.db2.gz CSXOXENKDNELIK-INIZCTEOSA-N 1 2 351.454 2.335 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3ccccc3)CC2)[nH+]cn1 ZINC000173425320 546281626 /nfs/dbraw/zinc/28/16/26/546281626.db2.gz CSXOXENKDNELIK-INIZCTEOSA-N 1 2 351.454 2.335 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccccc2Cl)nc[nH+]1 ZINC000173419667 546281668 /nfs/dbraw/zinc/28/16/68/546281668.db2.gz DQZRMYQUZLEDBT-CQSZACIVSA-N 1 2 359.861 2.499 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2ccccc2Cl)[nH+]cn1 ZINC000173419667 546281671 /nfs/dbraw/zinc/28/16/71/546281671.db2.gz DQZRMYQUZLEDBT-CQSZACIVSA-N 1 2 359.861 2.499 10 0 FEAELO COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCC(c4ccn[nH]4)CC3)C2=O)c1 ZINC000176223613 546421020 /nfs/dbraw/zinc/42/10/20/546421020.db2.gz KPJLQOHZWISXAT-LJQANCHMSA-N 1 2 370.453 2.412 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176659620 546473701 /nfs/dbraw/zinc/47/37/01/546473701.db2.gz PSHALIJZFKBTGK-OAHLLOKOSA-N 1 2 357.414 2.066 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176659620 546473703 /nfs/dbraw/zinc/47/37/03/546473703.db2.gz PSHALIJZFKBTGK-OAHLLOKOSA-N 1 2 357.414 2.066 10 0 FEAELO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000177141339 546553665 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/nfs/dbraw/zinc/83/68/58/546836858.db2.gz SSCULSOIEMVJSL-KFWWJZLASA-N 1 2 355.504 2.092 10 0 FEAELO COC[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000178711515 546836862 /nfs/dbraw/zinc/83/68/62/546836862.db2.gz SSCULSOIEMVJSL-KFWWJZLASA-N 1 2 355.504 2.092 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](Cc3c(C)nn(-c4ccccc4)c3C)CCO2)[nH]1 ZINC000180108390 547053100 /nfs/dbraw/zinc/05/31/00/547053100.db2.gz CUCUHEJLSYJILR-SFHVURJKSA-N 1 2 352.442 2.489 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3c(C)nn(-c4ccccc4)c3C)CCO2)[nH]1 ZINC000180108390 547053105 /nfs/dbraw/zinc/05/31/05/547053105.db2.gz CUCUHEJLSYJILR-SFHVURJKSA-N 1 2 352.442 2.489 10 0 FEAELO COc1ccc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000180226653 547069761 /nfs/dbraw/zinc/06/97/61/547069761.db2.gz POVVXHHDXBDBNQ-CJNGLKHVSA-N 1 2 356.413 2.449 10 0 FEAELO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000180484677 547116542 /nfs/dbraw/zinc/11/65/42/547116542.db2.gz NVVUUJIGSRVUGH-AUUYWEPGSA-N 1 2 372.444 2.113 10 0 FEAELO CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000182141768 547443897 /nfs/dbraw/zinc/44/38/97/547443897.db2.gz ACPCTHRWHARTAQ-HUUCEWRRSA-N 1 2 352.479 2.288 10 0 FEAELO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000183121293 547605179 /nfs/dbraw/zinc/60/51/79/547605179.db2.gz GQCHPFBGOFOOEF-KRWDZBQOSA-N 1 2 366.531 2.037 10 0 FEAELO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000183121293 547605185 /nfs/dbraw/zinc/60/51/85/547605185.db2.gz GQCHPFBGOFOOEF-KRWDZBQOSA-N 1 2 366.531 2.037 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000184370295 547814488 /nfs/dbraw/zinc/81/44/88/547814488.db2.gz WZPPAOXBMCDNII-GOSISDBHSA-N 1 2 365.449 2.102 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000184370295 547814494 /nfs/dbraw/zinc/81/44/94/547814494.db2.gz WZPPAOXBMCDNII-GOSISDBHSA-N 1 2 365.449 2.102 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)cn1 ZINC000184381851 547816884 /nfs/dbraw/zinc/81/68/84/547816884.db2.gz OCMKEPUAALQRGF-UHFFFAOYSA-N 1 2 366.824 2.266 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)cn1 ZINC000184381851 547816885 /nfs/dbraw/zinc/81/68/85/547816885.db2.gz OCMKEPUAALQRGF-UHFFFAOYSA-N 1 2 366.824 2.266 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000184455464 547829910 /nfs/dbraw/zinc/82/99/10/547829910.db2.gz FYSAXVSWBDGREM-QGZVFWFLSA-N 1 2 360.458 2.046 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000184455464 547829917 /nfs/dbraw/zinc/82/99/17/547829917.db2.gz FYSAXVSWBDGREM-QGZVFWFLSA-N 1 2 360.458 2.046 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000184468103 547831754 /nfs/dbraw/zinc/83/17/54/547831754.db2.gz AITCBZKVRJJOJC-LJQANCHMSA-N 1 2 370.497 2.418 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1cc(N(C)C)nc2ccccc12 ZINC000184468103 547831757 /nfs/dbraw/zinc/83/17/57/547831757.db2.gz AITCBZKVRJJOJC-LJQANCHMSA-N 1 2 370.497 2.418 10 0 FEAELO CCc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccc(Cl)cc1 ZINC000185099606 547932921 /nfs/dbraw/zinc/93/29/21/547932921.db2.gz NEULYIKIAYBBIO-OAHLLOKOSA-N 1 2 362.861 2.149 10 0 FEAELO CCc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccc(Cl)cc1 ZINC000185099606 547932924 /nfs/dbraw/zinc/93/29/24/547932924.db2.gz NEULYIKIAYBBIO-OAHLLOKOSA-N 1 2 362.861 2.149 10 0 FEAELO O=C(NC1C[NH+](C[C@H](O)COc2cccc3ccccc32)C1)C1CCC1 ZINC000185934851 548061396 /nfs/dbraw/zinc/06/13/96/548061396.db2.gz ATJMTKYEANODIO-SFHVURJKSA-N 1 2 354.450 2.180 10 0 FEAELO CCCCn1cc(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c(C)n1 ZINC000185939353 548062567 /nfs/dbraw/zinc/06/25/67/548062567.db2.gz MCEDRLJPGIXTRD-OAHLLOKOSA-N 1 2 371.489 2.222 10 0 FEAELO CCCCn1cc(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c(C)n1 ZINC000185939353 548062571 /nfs/dbraw/zinc/06/25/71/548062571.db2.gz MCEDRLJPGIXTRD-OAHLLOKOSA-N 1 2 371.489 2.222 10 0 FEAELO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)C(F)(F)F)[NH+]1CCOCC1 ZINC000186586187 548156013 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CCc1nnc(CN2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)n1C ZINC000195064759 548571129 /nfs/dbraw/zinc/57/11/29/548571129.db2.gz QJWHIFQDUDEQTN-UHFFFAOYSA-N 1 2 363.893 2.357 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCO2)[nH]1 ZINC000195176723 548591738 /nfs/dbraw/zinc/59/17/38/548591738.db2.gz QRJPHELMPPWRMT-KDOFPFPSSA-N 1 2 365.478 2.134 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCO2)[nH]1 ZINC000195176723 548591741 /nfs/dbraw/zinc/59/17/41/548591741.db2.gz QRJPHELMPPWRMT-KDOFPFPSSA-N 1 2 365.478 2.134 10 0 FEAELO C[C@H](CNC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCOCC1 ZINC000245514354 548936804 /nfs/dbraw/zinc/93/68/04/548936804.db2.gz PHNVWJIUANLXIN-ZHALLVOQSA-N 1 2 361.486 2.174 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)C[C@@H]1C ZINC000245877921 549009480 /nfs/dbraw/zinc/00/94/80/549009480.db2.gz HMDQNQBDBCNFFS-DZGCQCFKSA-N 1 2 353.488 2.177 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)C[C@@H]1C ZINC000245877921 549009482 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FEAELO O=c1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nc2ccccn12 ZINC000246587969 549168821 /nfs/dbraw/zinc/16/88/21/549168821.db2.gz GLDDLXKSCYJKAM-YOEHRIQHSA-N 1 2 357.360 2.281 10 0 FEAELO C[C@@H](NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)[C@@H]1CCCO1 ZINC000246836513 549225242 /nfs/dbraw/zinc/22/52/42/549225242.db2.gz LEGYXFQIDSISCQ-FPCVCCKLSA-N 1 2 367.515 2.377 10 0 FEAELO C[C@@H](NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)[C@@H]1CCCO1 ZINC000246836513 549225249 /nfs/dbraw/zinc/22/52/49/549225249.db2.gz LEGYXFQIDSISCQ-FPCVCCKLSA-N 1 2 367.515 2.377 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCCO2)[NH+]2CCOCC2)s1 ZINC000246882012 549234414 /nfs/dbraw/zinc/23/44/14/549234414.db2.gz MTVMLOJGMQBQEY-HRCADAONSA-N 1 2 367.515 2.297 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000246902484 549238602 /nfs/dbraw/zinc/23/86/02/549238602.db2.gz HSLITIRWMTWYRM-HUUCEWRRSA-N 1 2 351.878 2.382 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000246902484 549238604 /nfs/dbraw/zinc/23/86/04/549238604.db2.gz HSLITIRWMTWYRM-HUUCEWRRSA-N 1 2 351.878 2.382 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000246902484 549238606 /nfs/dbraw/zinc/23/86/06/549238606.db2.gz HSLITIRWMTWYRM-HUUCEWRRSA-N 1 2 351.878 2.382 10 0 FEAELO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000247002151 549261536 /nfs/dbraw/zinc/26/15/36/549261536.db2.gz WZDRUGGMKQDFFF-WFASDCNBSA-N 1 2 372.448 2.457 10 0 FEAELO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000247002151 549261539 /nfs/dbraw/zinc/26/15/39/549261539.db2.gz WZDRUGGMKQDFFF-WFASDCNBSA-N 1 2 372.448 2.457 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 ZINC000247588828 549363419 /nfs/dbraw/zinc/36/34/19/549363419.db2.gz JJLNNVWMHLYEHD-QUCCMNQESA-N 1 2 370.497 2.248 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 ZINC000247588828 549363424 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FEAELO CSc1ccc(N2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)nn1 ZINC000301525547 553658197 /nfs/dbraw/zinc/65/81/97/553658197.db2.gz NBNMETDAPMTOTR-UHFFFAOYSA-N 1 2 367.482 2.046 10 0 FEAELO COC(=O)c1ccc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc1C ZINC000301977945 553695747 /nfs/dbraw/zinc/69/57/47/553695747.db2.gz WUBLQNQNZMJYDB-OALUTQOASA-N 1 2 367.449 2.266 10 0 FEAELO COC(=O)c1ccc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc1C ZINC000301977945 553695748 /nfs/dbraw/zinc/69/57/48/553695748.db2.gz WUBLQNQNZMJYDB-OALUTQOASA-N 1 2 367.449 2.266 10 0 FEAELO COCc1cc(C(=O)N2CCC[C@H](Nc3ccc(N(C)C)[nH+]c3)CC2)no1 ZINC000328622902 553798006 /nfs/dbraw/zinc/79/80/06/553798006.db2.gz BPEONYVCWJTEKZ-AWEZNQCLSA-N 1 2 373.457 2.389 10 0 FEAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CCN1C ZINC000369517129 556618023 /nfs/dbraw/zinc/61/80/23/556618023.db2.gz FWEAGLWUDHTLET-SFHVURJKSA-N 1 2 351.454 2.349 10 0 FEAELO Cc1cc(C)n(-c2ccc(-c3noc([C@H]4C[N@@H+](C)C[C@@H](C)O4)n3)nc2)n1 ZINC000527545722 562292311 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1 2 356.413 2.091 10 0 FEAELO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000130826340 672080213 /nfs/dbraw/zinc/08/02/13/672080213.db2.gz YMSHAPDOGDLIHV-ZIAGYGMSSA-N 1 2 356.413 2.091 10 0 FEAELO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000176992163 672378945 /nfs/dbraw/zinc/37/89/45/672378945.db2.gz HXLFINCLYJHWEN-SNVBAGLBSA-N 1 2 366.455 2.301 10 0 FEAELO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000176992163 672378947 /nfs/dbraw/zinc/37/89/47/672378947.db2.gz HXLFINCLYJHWEN-SNVBAGLBSA-N 1 2 366.455 2.301 10 0 FEAELO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000192842323 672703965 /nfs/dbraw/zinc/70/39/65/672703965.db2.gz MXYHPEDTJPQGDU-LBPRGKRZSA-N 1 2 358.423 2.235 10 0 FEAELO C/C(=C/C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O)C[NH+]1CCOCC1 ZINC000908104230 691614846 /nfs/dbraw/zinc/61/48/46/691614846.db2.gz BCFNUQUFJMVVHK-RTYMJTCMSA-N 1 2 350.503 2.197 10 0 FEAELO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C(C)C)cc1 ZINC000029154875 539844659 /nfs/dbraw/zinc/84/46/59/539844659.db2.gz CCAKLRTVXLPKQG-MJGOQNOKSA-N 1 2 361.486 2.061 10 0 FEAELO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)C(C)C)cc1 ZINC000029154875 539844662 /nfs/dbraw/zinc/84/46/62/539844662.db2.gz CCAKLRTVXLPKQG-MJGOQNOKSA-N 1 2 361.486 2.061 10 0 FEAELO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1 ZINC000096112969 291050077 /nfs/dbraw/zinc/05/00/77/291050077.db2.gz PUWCMUYFAGAFOE-RBUKOAKNSA-N 1 2 351.450 2.255 10 0 FEAELO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1 ZINC000096112969 291050078 /nfs/dbraw/zinc/05/00/78/291050078.db2.gz PUWCMUYFAGAFOE-RBUKOAKNSA-N 1 2 351.450 2.255 10 0 FEAELO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1S(C)(=O)=O ZINC000044364648 540125250 /nfs/dbraw/zinc/12/52/50/540125250.db2.gz GOAUWLZHEKWFBI-KRWDZBQOSA-N 1 2 360.479 2.431 10 0 FEAELO C[C@H](CNC(=O)NCCSc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000048132311 540346436 /nfs/dbraw/zinc/34/64/36/540346436.db2.gz BNLBLDPMUXIPHQ-CYBMUJFWSA-N 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ZINC000022288932 220382239 /nfs/dbraw/zinc/38/22/39/220382239.db2.gz MSQVGVKKYIKLJU-GFCCVEGCSA-N 1 2 362.455 2.479 10 0 FEAELO O=C(NC1CC1)c1cc2n(n1)CCC[N@H+](Cc1cnc3ccccc3n1)C2 ZINC000065382704 221207721 /nfs/dbraw/zinc/20/77/21/221207721.db2.gz QLCMDMPEDAHBAH-UHFFFAOYSA-N 1 2 362.437 2.124 10 0 FEAELO O=C(NC1CC1)c1cc2n(n1)CCC[N@@H+](Cc1cnc3ccccc3n1)C2 ZINC000065382704 221207724 /nfs/dbraw/zinc/20/77/24/221207724.db2.gz QLCMDMPEDAHBAH-UHFFFAOYSA-N 1 2 362.437 2.124 10 0 FEAELO CCn1ccnc1C[N@H+](C)C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000067490532 221257288 /nfs/dbraw/zinc/25/72/88/221257288.db2.gz XWONFNIWVTTXQP-HXUWFJFHSA-N 1 2 362.518 2.269 10 0 FEAELO CCn1ccnc1C[N@@H+](C)C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000067490532 221257292 /nfs/dbraw/zinc/25/72/92/221257292.db2.gz XWONFNIWVTTXQP-HXUWFJFHSA-N 1 2 362.518 2.269 10 0 FEAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)cc1 ZINC000224147693 132281758 /nfs/dbraw/zinc/28/17/58/132281758.db2.gz WKKAOMWZLXXYEY-UHFFFAOYSA-N 1 2 356.430 2.332 10 0 FEAELO COc1c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c(C)nn1C ZINC000093335870 542927444 /nfs/dbraw/zinc/92/74/44/542927444.db2.gz QLTWTLDNUYZPCS-UHFFFAOYSA-N 1 2 358.471 2.064 10 0 FEAELO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1NC(=O)c1ccco1 ZINC000105283269 543169585 /nfs/dbraw/zinc/16/95/85/543169585.db2.gz XGOXIEDLZYNTSJ-HNNXBMFYSA-N 1 2 372.425 2.292 10 0 FEAELO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1NC(=O)c1ccco1 ZINC000105283269 543169587 /nfs/dbraw/zinc/16/95/87/543169587.db2.gz XGOXIEDLZYNTSJ-HNNXBMFYSA-N 1 2 372.425 2.292 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1C ZINC000106079206 543191616 /nfs/dbraw/zinc/19/16/16/543191616.db2.gz FNJFVTWFKPBEOT-INIZCTEOSA-N 1 2 369.469 2.408 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1C ZINC000106079206 543191618 /nfs/dbraw/zinc/19/16/18/543191618.db2.gz FNJFVTWFKPBEOT-INIZCTEOSA-N 1 2 369.469 2.408 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N([C@H](C)C3CC3)C3CC3)CC2)s1 ZINC000106089976 543194624 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ZINC000106196867 543216167 /nfs/dbraw/zinc/21/61/67/543216167.db2.gz AHDVOWQPXYGILR-APWZRJJASA-N 1 2 372.469 2.318 10 0 FEAELO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000106196867 543216171 /nfs/dbraw/zinc/21/61/71/543216171.db2.gz AHDVOWQPXYGILR-APWZRJJASA-N 1 2 372.469 2.318 10 0 FEAELO O[C@H](COc1ccccc1)CN1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000106204620 543218311 /nfs/dbraw/zinc/21/83/11/543218311.db2.gz MNNZXLIOEJMDFZ-IBGZPJMESA-N 1 2 374.456 2.262 10 0 FEAELO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106222614 543220558 /nfs/dbraw/zinc/22/05/58/543220558.db2.gz MDBKEVAUXPFEMM-CYBMUJFWSA-N 1 2 362.455 2.315 10 0 FEAELO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106222614 543220561 /nfs/dbraw/zinc/22/05/61/543220561.db2.gz MDBKEVAUXPFEMM-CYBMUJFWSA-N 1 2 362.455 2.315 10 0 FEAELO COc1cccc(COC[C@H](O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106379106 543227057 /nfs/dbraw/zinc/22/70/57/543227057.db2.gz JJHJJLVYTYCVPY-QGZVFWFLSA-N 1 2 373.497 2.488 10 0 FEAELO COc1cccc(COC[C@H](O)C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106379106 543227060 /nfs/dbraw/zinc/22/70/60/543227060.db2.gz JJHJJLVYTYCVPY-QGZVFWFLSA-N 1 2 373.497 2.488 10 0 FEAELO COc1cccc(COC[C@H](O)C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106379106 543227061 /nfs/dbraw/zinc/22/70/61/543227061.db2.gz JJHJJLVYTYCVPY-QGZVFWFLSA-N 1 2 373.497 2.488 10 0 FEAELO CCn1cc[nH+]c1CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000106587628 543240658 /nfs/dbraw/zinc/24/06/58/543240658.db2.gz RHGGIRPETVZYGY-UHFFFAOYSA-N 1 2 356.426 2.163 10 0 FEAELO CCSc1cc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)ccn1 ZINC000109657867 543332252 /nfs/dbraw/zinc/33/22/52/543332252.db2.gz BRPQNYBUNODMAQ-UHFFFAOYSA-N 1 2 359.499 2.275 10 0 FEAELO CCSc1cc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ccn1 ZINC000109657867 543332256 /nfs/dbraw/zinc/33/22/56/543332256.db2.gz BRPQNYBUNODMAQ-UHFFFAOYSA-N 1 2 359.499 2.275 10 0 FEAELO COc1ccc(CCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1OC ZINC000110288946 543354251 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CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484716 543520942 /nfs/dbraw/zinc/52/09/42/543520942.db2.gz HRTUYGHGOMISKE-SFHVURJKSA-N 1 2 369.469 2.254 10 0 FEAELO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484716 543520945 /nfs/dbraw/zinc/52/09/45/543520945.db2.gz HRTUYGHGOMISKE-SFHVURJKSA-N 1 2 369.469 2.254 10 0 FEAELO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114484676 543520539 /nfs/dbraw/zinc/52/05/39/543520539.db2.gz MBUIHJCOWCNNCP-INIZCTEOSA-N 1 2 357.414 2.294 10 0 FEAELO COc1ccc(NC(=O)NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114484676 543520543 /nfs/dbraw/zinc/52/05/43/543520543.db2.gz MBUIHJCOWCNNCP-INIZCTEOSA-N 1 2 357.414 2.294 10 0 FEAELO CCS[C@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(C)C ZINC000115389385 543564255 /nfs/dbraw/zinc/56/42/55/543564255.db2.gz XLMKRQCGOBKKBK-KRWDZBQOSA-N 1 2 352.548 2.459 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000117521642 543635360 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C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cnn3c2CCCC3)c2cccs2)CCO1 ZINC000127633270 544004867 /nfs/dbraw/zinc/00/48/67/544004867.db2.gz DZRRUMYVLNUUQY-YOEHRIQHSA-N 1 2 374.510 2.473 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cnn3c2CCCC3)c2cccs2)CCO1 ZINC000127633270 544004870 /nfs/dbraw/zinc/00/48/70/544004870.db2.gz DZRRUMYVLNUUQY-YOEHRIQHSA-N 1 2 374.510 2.473 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000130845353 544167798 /nfs/dbraw/zinc/16/77/98/544167798.db2.gz KFIXDTYOECPTMD-DOMZBBRYSA-N 1 2 355.276 2.075 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000130845353 544167799 /nfs/dbraw/zinc/16/77/99/544167799.db2.gz KFIXDTYOECPTMD-DOMZBBRYSA-N 1 2 355.276 2.075 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[N@@H+]1CCOC ZINC000132552438 544235555 /nfs/dbraw/zinc/23/55/55/544235555.db2.gz LZMAITBFMQZGMO-GFCCVEGCSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[N@H+]1CCOC ZINC000132552438 544235557 /nfs/dbraw/zinc/23/55/57/544235557.db2.gz LZMAITBFMQZGMO-GFCCVEGCSA-N 1 2 364.870 2.210 10 0 FEAELO COc1ccc(-c2cncc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2)cc1 ZINC000134284051 544301457 /nfs/dbraw/zinc/30/14/57/544301457.db2.gz GSISRLGUOOYHRF-IBGZPJMESA-N 1 2 367.449 2.304 10 0 FEAELO CC[C@@]1(C)CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCO1 ZINC000135698723 544359399 /nfs/dbraw/zinc/35/93/99/544359399.db2.gz NOPPFMRONRXEDF-KRWDZBQOSA-N 1 2 352.504 2.178 10 0 FEAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000137211828 544386940 /nfs/dbraw/zinc/38/69/40/544386940.db2.gz GLUMZFFLOYRBSZ-UHFFFAOYSA-N 1 2 363.491 2.091 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)n1 ZINC000151075166 544502945 /nfs/dbraw/zinc/50/29/45/544502945.db2.gz LXGUKPJMLIEVJD-UHFFFAOYSA-N 1 2 357.389 2.478 10 0 FEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1NC(=O)C(C)(C)C ZINC000151293117 544525395 /nfs/dbraw/zinc/52/53/95/544525395.db2.gz GQOJSJSXYNULSU-OAHLLOKOSA-N 1 2 362.474 2.432 10 0 FEAELO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1NC(=O)C(C)(C)C ZINC000151293117 544525398 /nfs/dbraw/zinc/52/53/98/544525398.db2.gz GQOJSJSXYNULSU-OAHLLOKOSA-N 1 2 362.474 2.432 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Sc2ccccn2)nc[nH+]1 ZINC000152459142 544656359 /nfs/dbraw/zinc/65/63/59/544656359.db2.gz BPVGAMVAPNOISM-KBPBESRZSA-N 1 2 372.498 2.179 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Sc2ccccn2)[nH+]cn1 ZINC000152459142 544656363 /nfs/dbraw/zinc/65/63/63/544656363.db2.gz BPVGAMVAPNOISM-KBPBESRZSA-N 1 2 372.498 2.179 10 0 FEAELO COCCOc1cc(C)ccc1CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000152986341 544719917 /nfs/dbraw/zinc/71/99/17/544719917.db2.gz OCELRDDJSWUQCV-QGZVFWFLSA-N 1 2 372.469 2.383 10 0 FEAELO COCCOc1cc(C)ccc1CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000152986341 544719924 /nfs/dbraw/zinc/71/99/24/544719924.db2.gz OCELRDDJSWUQCV-QGZVFWFLSA-N 1 2 372.469 2.383 10 0 FEAELO Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000153451834 544777350 /nfs/dbraw/zinc/77/73/50/544777350.db2.gz JYOKNAUUSJFYDN-MAUKXSAKSA-N 1 2 356.470 2.398 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CCO2)[nH]1 ZINC000154483433 544911369 /nfs/dbraw/zinc/91/13/69/544911369.db2.gz XPLKPOUBCPUQPC-HIFRSBDPSA-N 1 2 370.375 2.109 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CCO2)[nH]1 ZINC000154483433 544911371 /nfs/dbraw/zinc/91/13/71/544911371.db2.gz XPLKPOUBCPUQPC-HIFRSBDPSA-N 1 2 370.375 2.109 10 0 FEAELO Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC000155158395 544996257 /nfs/dbraw/zinc/99/62/57/544996257.db2.gz OJMPOPAAIQRCLR-GOSISDBHSA-N 1 2 356.470 2.495 10 0 FEAELO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nn1-c1ccc(C)cc1 ZINC000180484635 327687748 /nfs/dbraw/zinc/68/77/48/327687748.db2.gz PCWXONNWVVBREG-UZLBHIALSA-N 1 2 368.481 2.282 10 0 FEAELO C[C@@H](CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+]1CCOCC1 ZINC000184385495 327865101 /nfs/dbraw/zinc/86/51/01/327865101.db2.gz XTJAQSLOKRHRGC-YOEHRIQHSA-N 1 2 367.877 2.144 10 0 FEAELO CCc1c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1-c1ccccc1C ZINC000184386335 327865180 /nfs/dbraw/zinc/86/51/80/327865180.db2.gz YASIWHRMMRXFDS-MRXNPFEDSA-N 1 2 356.470 2.194 10 0 FEAELO C[C@@H](NC(=O)N1CCC[C@]12CCOC2=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000187352750 328019029 /nfs/dbraw/zinc/01/90/29/328019029.db2.gz BUMQNZGXRZWCFA-AUUYWEPGSA-N 1 2 354.410 2.424 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3CCO)CC2)cs1 ZINC000188387065 328084057 /nfs/dbraw/zinc/08/40/57/328084057.db2.gz MMSIVPYKKJSVJU-NVXWUHKLSA-N 1 2 366.531 2.220 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3CCO)CC2)cs1 ZINC000188387065 328084058 /nfs/dbraw/zinc/08/40/58/328084058.db2.gz MMSIVPYKKJSVJU-NVXWUHKLSA-N 1 2 366.531 2.220 10 0 FEAELO C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)N1CCCCC1=O ZINC000188455924 328088054 /nfs/dbraw/zinc/08/80/54/328088054.db2.gz PNTSAPCMOUEBKO-INIZCTEOSA-N 1 2 359.470 2.248 10 0 FEAELO Cc1cccc2nc(C3CCN(C(=O)NC[C@@H]4C[N@H+](C)CCO4)CC3)oc21 ZINC000188540456 328093841 /nfs/dbraw/zinc/09/38/41/328093841.db2.gz FZJIOKLSSDUBEQ-MRXNPFEDSA-N 1 2 372.469 2.356 10 0 FEAELO Cc1cccc2nc(C3CCN(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)CC3)oc21 ZINC000188540456 328093842 /nfs/dbraw/zinc/09/38/42/328093842.db2.gz FZJIOKLSSDUBEQ-MRXNPFEDSA-N 1 2 372.469 2.356 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+](CCOCC(F)(F)C(F)(F)F)CCO2)n1 ZINC000189212049 328135148 /nfs/dbraw/zinc/13/51/48/328135148.db2.gz SUNZMRJGLOEGBZ-CYBMUJFWSA-N 1 2 371.350 2.415 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCO2)n1 ZINC000189212049 328135149 /nfs/dbraw/zinc/13/51/49/328135149.db2.gz SUNZMRJGLOEGBZ-CYBMUJFWSA-N 1 2 371.350 2.415 10 0 FEAELO CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190749345 328230182 /nfs/dbraw/zinc/23/01/82/328230182.db2.gz MVPBGMSIGAXMNM-OAHLLOKOSA-N 1 2 374.416 2.439 10 0 FEAELO O=C(Nc1ccccc1N1CCCC1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190757623 328230607 /nfs/dbraw/zinc/23/06/07/328230607.db2.gz PPLJZXDXBTUCPB-MRXNPFEDSA-N 1 2 367.453 2.113 10 0 FEAELO Cc1cc(F)c(Br)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000190903173 328239467 /nfs/dbraw/zinc/23/94/67/328239467.db2.gz ZMFXFWKVLFCOQU-SNVBAGLBSA-N 1 2 360.227 2.349 10 0 FEAELO Cc1cc(F)c(Br)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000190903173 328239468 /nfs/dbraw/zinc/23/94/68/328239468.db2.gz ZMFXFWKVLFCOQU-SNVBAGLBSA-N 1 2 360.227 2.349 10 0 FEAELO COc1cc(OC)cc([C@H](NC(=O)[C@H]2CCCO[C@@H]2C)c2[nH+]ccn2C)c1 ZINC000191644167 328275704 /nfs/dbraw/zinc/27/57/04/328275704.db2.gz MSKUXXNEQKRFDO-BVGQSLNGSA-N 1 2 373.453 2.458 10 0 FEAELO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979419 328291623 /nfs/dbraw/zinc/29/16/23/328291623.db2.gz LPRQHPIMSRWBIA-JKSUJKDBSA-N 1 2 369.550 2.418 10 0 FEAELO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979419 328291624 /nfs/dbraw/zinc/29/16/24/328291624.db2.gz LPRQHPIMSRWBIA-JKSUJKDBSA-N 1 2 369.550 2.418 10 0 FEAELO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000033081586 324483052 /nfs/dbraw/zinc/48/30/52/324483052.db2.gz ZGQNULIMCOICSA-ZDUSSCGKSA-N 1 2 360.433 2.079 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000077734924 325010099 /nfs/dbraw/zinc/01/00/99/325010099.db2.gz NXMSPMPPJRLLJI-AWEZNQCLSA-N 1 2 358.442 2.250 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1C ZINC000083066710 325212618 /nfs/dbraw/zinc/21/26/18/325212618.db2.gz JDZNMCUYYFYZPR-UHFFFAOYSA-N 1 2 355.847 2.418 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000083695948 325221753 /nfs/dbraw/zinc/22/17/53/325221753.db2.gz CWEZQPGSOCTARK-OAHLLOKOSA-N 1 2 353.430 2.079 10 0 FEAELO CC[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)Oc1cccc(F)c1 ZINC000084636054 325241163 /nfs/dbraw/zinc/24/11/63/325241163.db2.gz DFKBZLUOQZSKBU-ZBFHGGJFSA-N 1 2 353.438 2.003 10 0 FEAELO COc1ccc(C2(NC(=O)NC[C@@H](C)[NH+]3CCOCC3)CCCC2)cc1 ZINC000103305013 325513716 /nfs/dbraw/zinc/51/37/16/325513716.db2.gz MDTRNINSDPCGKL-MRXNPFEDSA-N 1 2 361.486 2.484 10 0 FEAELO Cc1cccc(OCCNC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106371156 325595791 /nfs/dbraw/zinc/59/57/91/325595791.db2.gz KQUNXSLNZVFRTA-UHFFFAOYSA-N 1 2 370.497 2.405 10 0 FEAELO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106903205 325615079 /nfs/dbraw/zinc/61/50/79/325615079.db2.gz YSSYOXMJIRPPTC-HNNXBMFYSA-N 1 2 370.478 2.116 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCNC(=O)c1ccccc1)C2 ZINC000112742139 325804113 /nfs/dbraw/zinc/80/41/13/325804113.db2.gz TVVFOQJZDXOADW-UHFFFAOYSA-N 1 2 369.469 2.041 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCc2ccc(C)cc2)CC1 ZINC000115633773 325970330 /nfs/dbraw/zinc/97/03/30/325970330.db2.gz FJEOETGNUYKCLI-UHFFFAOYSA-N 1 2 355.486 2.373 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCCOCC3CC3)CC2)cs1 ZINC000116524136 326020682 /nfs/dbraw/zinc/02/06/82/326020682.db2.gz PWJAUUBVTGSVTG-UHFFFAOYSA-N 1 2 366.531 2.486 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCCOCC3CC3)CC2)cs1 ZINC000116524136 326020685 /nfs/dbraw/zinc/02/06/85/326020685.db2.gz PWJAUUBVTGSVTG-UHFFFAOYSA-N 1 2 366.531 2.486 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@@H]1CC ZINC000116766780 326032803 /nfs/dbraw/zinc/03/28/03/326032803.db2.gz WDVHSMMMDHUOMY-IBGZPJMESA-N 1 2 358.482 2.317 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)C[C@@H]1CC ZINC000116766780 326032805 /nfs/dbraw/zinc/03/28/05/326032805.db2.gz WDVHSMMMDHUOMY-IBGZPJMESA-N 1 2 358.482 2.317 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2F)C[C@H]1CC ZINC000116899093 326041116 /nfs/dbraw/zinc/04/11/16/326041116.db2.gz SYPZCOPPKKQOHB-CYBMUJFWSA-N 1 2 362.442 2.086 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2F)C[C@H]1CC ZINC000116899093 326041119 /nfs/dbraw/zinc/04/11/19/326041119.db2.gz SYPZCOPPKKQOHB-CYBMUJFWSA-N 1 2 362.442 2.086 10 0 FEAELO Cc1ccsc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117311183 326056481 /nfs/dbraw/zinc/05/64/81/326056481.db2.gz ZRUSPYNVMMOGSU-MRXNPFEDSA-N 1 2 360.479 2.254 10 0 FEAELO O=C(Nc1cccc(F)c1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117399832 326060101 /nfs/dbraw/zinc/06/01/01/326060101.db2.gz WZMMJWYJRJEWHJ-GOSISDBHSA-N 1 2 373.428 2.415 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)cs1 ZINC000117792794 326070803 /nfs/dbraw/zinc/07/08/03/326070803.db2.gz OKZMTSDDKJCVOQ-CQSZACIVSA-N 1 2 360.483 2.348 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)cs1 ZINC000117792794 326070806 /nfs/dbraw/zinc/07/08/06/326070806.db2.gz OKZMTSDDKJCVOQ-CQSZACIVSA-N 1 2 360.483 2.348 10 0 FEAELO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000120067510 326227121 /nfs/dbraw/zinc/22/71/21/326227121.db2.gz DYOAGKRXUANYGT-UHFFFAOYSA-N 1 2 358.490 2.014 10 0 FEAELO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000120468496 326260912 /nfs/dbraw/zinc/26/09/12/326260912.db2.gz WESZMZREEKJBAL-AWEZNQCLSA-N 1 2 361.364 2.057 10 0 FEAELO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000120468496 326260914 /nfs/dbraw/zinc/26/09/14/326260914.db2.gz WESZMZREEKJBAL-AWEZNQCLSA-N 1 2 361.364 2.057 10 0 FEAELO C[C@H](NC(=O)NCCCO[C@@H]1CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000122223009 326388649 /nfs/dbraw/zinc/38/86/49/326388649.db2.gz SPHMXVKHECMIFC-MAUKXSAKSA-N 1 2 358.442 2.428 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1OC(=O)C1CC1 ZINC000122221885 326388703 /nfs/dbraw/zinc/38/87/03/326388703.db2.gz KIZSBEFXYTZJNL-QGZVFWFLSA-N 1 2 371.437 2.108 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1OC(=O)C1CC1 ZINC000122221885 326388704 /nfs/dbraw/zinc/38/87/04/326388704.db2.gz KIZSBEFXYTZJNL-QGZVFWFLSA-N 1 2 371.437 2.108 10 0 FEAELO CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000132261046 326589603 /nfs/dbraw/zinc/58/96/03/326589603.db2.gz DVIGSANFLWMTLY-GOEBONIOSA-N 1 2 370.457 2.036 10 0 FEAELO Cc1cc(C(=O)N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cc(=O)[nH]1 ZINC000133782563 326614811 /nfs/dbraw/zinc/61/48/11/326614811.db2.gz RYGUIPZGNCXPAE-UHFFFAOYSA-N 1 2 357.458 2.005 10 0 FEAELO CCCCc1nnc(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)s1 ZINC000137192846 326658830 /nfs/dbraw/zinc/65/88/30/326658830.db2.gz NIXYIKANZBUZKA-UHFFFAOYSA-N 1 2 362.503 2.428 10 0 FEAELO Cc1ccccc1C(=O)N[C@H](C(=O)N(C)CCCn1cc[nH+]c1)C(C)C ZINC000155158306 326779721 /nfs/dbraw/zinc/77/97/21/326779721.db2.gz OJMPOPAAIQRCLR-SFHVURJKSA-N 1 2 356.470 2.495 10 0 FEAELO COCCC1(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)CC1 ZINC000162180338 327018995 /nfs/dbraw/zinc/01/89/95/327018995.db2.gz VLECGXDORBULQI-OAHLLOKOSA-N 1 2 352.500 2.363 10 0 FEAELO CCN(C(C)=O)c1nc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cs1 ZINC000170940518 327108412 /nfs/dbraw/zinc/10/84/12/327108412.db2.gz FYLDPCQRUDIENW-INIZCTEOSA-N 1 2 374.514 2.407 10 0 FEAELO CCN(C(C)=O)c1nc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cs1 ZINC000170940518 327108414 /nfs/dbraw/zinc/10/84/14/327108414.db2.gz FYLDPCQRUDIENW-INIZCTEOSA-N 1 2 374.514 2.407 10 0 FEAELO CN(c1cccnn1)C1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000170941244 327108657 /nfs/dbraw/zinc/10/86/57/327108657.db2.gz QKXJDXVGODKMAZ-UHFFFAOYSA-N 1 2 361.396 2.294 10 0 FEAELO C[C@@H](C[NH+]1CCOCC1)N(Cc1nnc(C2CC2)n1C)Cc1ccccc1 ZINC000170986278 327110991 /nfs/dbraw/zinc/11/09/91/327110991.db2.gz QRZYYYKEUMIASQ-KRWDZBQOSA-N 1 2 369.513 2.415 10 0 FEAELO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1C ZINC000171646249 327151254 /nfs/dbraw/zinc/15/12/54/327151254.db2.gz URJBVBBHMMHUKO-OAHLLOKOSA-N 1 2 370.453 2.430 10 0 FEAELO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1C ZINC000171646249 327151256 /nfs/dbraw/zinc/15/12/56/327151256.db2.gz URJBVBBHMMHUKO-OAHLLOKOSA-N 1 2 370.453 2.430 10 0 FEAELO CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)CC2 ZINC000172040768 327177705 /nfs/dbraw/zinc/17/77/05/327177705.db2.gz RMAUNZRRVAYNIT-CQSZACIVSA-N 1 2 372.473 2.017 10 0 FEAELO Cc1nc(C)n(C[C@H]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)n1 ZINC000172302309 327194178 /nfs/dbraw/zinc/19/41/78/327194178.db2.gz MREHVUJLZQEGGT-INIZCTEOSA-N 1 2 352.442 2.024 10 0 FEAELO COc1ccc(Cl)cc1NCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172756007 327217232 /nfs/dbraw/zinc/21/72/32/327217232.db2.gz LJHBZTFITWQMMC-HNNXBMFYSA-N 1 2 367.877 2.084 10 0 FEAELO Cc1ccc(-c2nc(CC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cs2)o1 ZINC000172760442 327217450 /nfs/dbraw/zinc/21/74/50/327217450.db2.gz HNQMWOATYZMBSN-HNNXBMFYSA-N 1 2 361.467 2.187 10 0 FEAELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c2c(n1)onc2C(C)C ZINC000172764198 327217576 /nfs/dbraw/zinc/21/75/76/327217576.db2.gz JQPLYGUMNKPQFM-AWEZNQCLSA-N 1 2 358.442 2.201 10 0 FEAELO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764875 327217677 /nfs/dbraw/zinc/21/76/77/327217677.db2.gz NTGSLDCIBQOYDT-HNNXBMFYSA-N 1 2 352.862 2.431 10 0 FEAELO O=C(CCc1ccc(OC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172768553 327217842 /nfs/dbraw/zinc/21/78/42/327217842.db2.gz YIZYSNINCGHQHT-HNNXBMFYSA-N 1 2 372.387 2.451 10 0 FEAELO Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172766882 327217943 /nfs/dbraw/zinc/21/79/43/327217943.db2.gz GLEZIJMPHWRFGV-CQSZACIVSA-N 1 2 361.467 2.187 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2ccccc2)nc[nH+]1 ZINC000173290097 327247477 /nfs/dbraw/zinc/24/74/77/327247477.db2.gz WEXQRFDLISSJRA-MRXNPFEDSA-N 1 2 354.458 2.029 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2ccccc2)[nH+]cn1 ZINC000173290097 327247479 /nfs/dbraw/zinc/24/74/79/327247479.db2.gz WEXQRFDLISSJRA-MRXNPFEDSA-N 1 2 354.458 2.029 10 0 FEAELO CC(C)c1csc([C@@H]2CCCN(C(=O)NCC[NH+]3CCOCC3)C2)n1 ZINC000173369136 327252495 /nfs/dbraw/zinc/25/24/95/327252495.db2.gz SRTSRDPHRMAJHU-OAHLLOKOSA-N 1 2 366.531 2.488 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOCc2ccccc2)nc[nH+]1 ZINC000173421984 327255202 /nfs/dbraw/zinc/25/52/02/327255202.db2.gz WHGKDHIVZUJJBB-KRWDZBQOSA-N 1 2 369.469 2.210 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOCc2ccccc2)[nH+]cn1 ZINC000173421984 327255204 /nfs/dbraw/zinc/25/52/04/327255204.db2.gz WHGKDHIVZUJJBB-KRWDZBQOSA-N 1 2 369.469 2.210 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3[nH]ccc3c2)nc[nH+]1 ZINC000173423055 327255544 /nfs/dbraw/zinc/25/55/44/327255544.db2.gz APUNVZDJQUWMSQ-OAHLLOKOSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3[nH]ccc3c2)[nH+]cn1 ZINC000173423055 327255545 /nfs/dbraw/zinc/25/55/45/327255545.db2.gz APUNVZDJQUWMSQ-OAHLLOKOSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C(C)=O)cc2)nc[nH+]1 ZINC000173440515 327257232 /nfs/dbraw/zinc/25/72/32/327257232.db2.gz JURAGVDZLLVDAH-INIZCTEOSA-N 1 2 353.426 2.120 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C(C)=O)cc2)[nH+]cn1 ZINC000173440515 327257233 /nfs/dbraw/zinc/25/72/33/327257233.db2.gz JURAGVDZLLVDAH-INIZCTEOSA-N 1 2 353.426 2.120 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)CCO2)[nH]1 ZINC000173666209 327275191 /nfs/dbraw/zinc/27/51/91/327275191.db2.gz JQWDEGVHPBCMHT-KRWDZBQOSA-N 1 2 354.410 2.410 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)CCO2)[nH]1 ZINC000173666209 327275193 /nfs/dbraw/zinc/27/51/93/327275193.db2.gz JQWDEGVHPBCMHT-KRWDZBQOSA-N 1 2 354.410 2.410 10 0 FEAELO O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173800751 327285257 /nfs/dbraw/zinc/28/52/57/327285257.db2.gz DTKOQDWCNUTJLU-QGZVFWFLSA-N 1 2 363.889 2.488 10 0 FEAELO C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173807833 327285423 /nfs/dbraw/zinc/28/54/23/327285423.db2.gz YCUUXXZQAIGFIK-RDTXWAMCSA-N 1 2 374.872 2.318 10 0 FEAELO Cc1nc(-c2c[nH]c(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2)cs1 ZINC000173805991 327285594 /nfs/dbraw/zinc/28/55/94/327285594.db2.gz OSWGSDWVCGSOJO-SJKOYZFVSA-N 1 2 360.483 2.239 10 0 FEAELO CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173805130 327285627 /nfs/dbraw/zinc/28/56/27/327285627.db2.gz DBOZGQNTRJFHDL-ZDUSSCGKSA-N 1 2 352.866 2.344 10 0 FEAELO C[C@@H]1CN(C(=O)COc2ccc(F)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173825873 327286903 /nfs/dbraw/zinc/28/69/03/327286903.db2.gz LDAJLFSAKZINFX-DOMZBBRYSA-N 1 2 356.825 2.037 10 0 FEAELO Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1C ZINC000173828532 327287178 /nfs/dbraw/zinc/28/71/78/327287178.db2.gz XZZUXYLYEQEILH-UZLBHIALSA-N 1 2 368.481 2.282 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000173885498 327291407 /nfs/dbraw/zinc/29/14/07/327291407.db2.gz CCSFKVKIFDUHMK-ABAIWWIYSA-N 1 2 371.250 2.381 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)Cc2cccs2)nc[nH+]1 ZINC000173899364 327292720 /nfs/dbraw/zinc/29/27/20/327292720.db2.gz AVDCGVZWWAWKTQ-UONOGXRCSA-N 1 2 374.514 2.479 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)Cc2cccs2)[nH+]cn1 ZINC000173899364 327292721 /nfs/dbraw/zinc/29/27/21/327292721.db2.gz AVDCGVZWWAWKTQ-UONOGXRCSA-N 1 2 374.514 2.479 10 0 FEAELO Cc1ccc(N2CCCC2)c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000173959392 327297970 /nfs/dbraw/zinc/29/79/70/327297970.db2.gz NATDGKNVUSNPLB-PXNSSMCTSA-N 1 2 357.498 2.388 10 0 FEAELO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(C)n1CC(F)(F)F ZINC000173984700 327299709 /nfs/dbraw/zinc/29/97/09/327299709.db2.gz LCSYVFXDFGRFRW-OAHLLOKOSA-N 1 2 373.419 2.256 10 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352.307 2.132 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCN(C(=O)c4cccnc4)CC3)nc[nH+]2)C1 ZINC000301232639 553633871 /nfs/dbraw/zinc/63/38/71/553633871.db2.gz INPNDIFDOVEARD-MRXNPFEDSA-N 1 2 366.469 2.070 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCN(C(=O)c4cccnc4)CC3)[nH+]cn2)C1 ZINC000301232639 553633873 /nfs/dbraw/zinc/63/38/73/553633873.db2.gz INPNDIFDOVEARD-MRXNPFEDSA-N 1 2 366.469 2.070 10 0 FEAELO Cc1ccccc1[C@@H]1CN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CCO1 ZINC000301460326 553653056 /nfs/dbraw/zinc/65/30/56/553653056.db2.gz ZVBKTLVMCVATNZ-WMZOPIPTSA-N 1 2 354.454 2.324 10 0 FEAELO Cc1ccccc1[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CCO1 ZINC000301460326 553653058 /nfs/dbraw/zinc/65/30/58/553653058.db2.gz ZVBKTLVMCVATNZ-WMZOPIPTSA-N 1 2 354.454 2.324 10 0 FEAELO Cc1ccc(-n2nnnc2N2CC[NH+](Cc3ccc(Cl)cn3)CC2)cc1 ZINC000302172257 553708778 /nfs/dbraw/zinc/70/87/78/553708778.db2.gz QDXXZTZHTFPWHY-UHFFFAOYSA-N 1 2 369.860 2.341 10 0 FEAELO c1ccc([C@H](C[NH+]2CCOCC2)Nc2nccn3c2nnc3C2CC2)cc1 ZINC000302209527 553710886 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CCn1cc(CN2CCC[N@@H+](Cc3nc4ccccc4n3C)CC2)cn1 ZINC000106158196 543210567 /nfs/dbraw/zinc/21/05/67/543210567.db2.gz GDWGFWGQRWSKAW-UHFFFAOYSA-N 1 2 352.486 2.498 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CCO2)c1 ZINC000106198244 543216460 /nfs/dbraw/zinc/21/64/60/543216460.db2.gz NGRIFTNHZXBZKN-HBFSDRIKSA-N 1 2 370.497 2.201 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CCO2)c1 ZINC000106198244 543216465 /nfs/dbraw/zinc/21/64/65/543216465.db2.gz NGRIFTNHZXBZKN-HBFSDRIKSA-N 1 2 370.497 2.201 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)CCO2)n1 ZINC000106200019 543216608 /nfs/dbraw/zinc/21/66/08/543216608.db2.gz HNHWVYDVCKSQBE-WMZOPIPTSA-N 1 2 350.507 2.094 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)CCO2)n1 ZINC000106200019 543216611 /nfs/dbraw/zinc/21/66/11/543216611.db2.gz HNHWVYDVCKSQBE-WMZOPIPTSA-N 1 2 350.507 2.094 10 0 FEAELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c(OC)c1 ZINC000106224320 543220276 /nfs/dbraw/zinc/22/02/76/543220276.db2.gz LKVSDMPNDWXJMU-HNNXBMFYSA-N 1 2 358.442 2.484 10 0 FEAELO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c(OC)c1 ZINC000106224320 543220278 /nfs/dbraw/zinc/22/02/78/543220278.db2.gz LKVSDMPNDWXJMU-HNNXBMFYSA-N 1 2 358.442 2.484 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cs1 ZINC000107252582 543263827 /nfs/dbraw/zinc/26/38/27/543263827.db2.gz JFBPNFKMYYGMFN-UHFFFAOYSA-N 1 2 373.478 2.457 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cs1 ZINC000107252582 543263829 /nfs/dbraw/zinc/26/38/29/543263829.db2.gz JFBPNFKMYYGMFN-UHFFFAOYSA-N 1 2 373.478 2.457 10 0 FEAELO c1ncn(C[C@@H]2CCCN(c3[nH+]cnc4c3cnn4-c3ccccc3)C2)n1 ZINC000108847059 543305980 /nfs/dbraw/zinc/30/59/80/543305980.db2.gz DDDGPRKGEFXMNL-OAHLLOKOSA-N 1 2 360.425 2.324 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3c(OC)cccc3OC)CC2)cn1 ZINC000109660132 543332715 /nfs/dbraw/zinc/33/27/15/543332715.db2.gz DIVMVOSKRLMWMK-UHFFFAOYSA-N 1 2 372.469 2.268 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3c(OC)cccc3OC)CC2)cn1 ZINC000109660132 543332717 /nfs/dbraw/zinc/33/27/17/543332717.db2.gz DIVMVOSKRLMWMK-UHFFFAOYSA-N 1 2 372.469 2.268 10 0 FEAELO CCc1ccc(-c2nc(CC(=O)NC[C@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC000110673492 543364505 /nfs/dbraw/zinc/36/45/05/543364505.db2.gz MAMHXCPQAPKZEX-KRWDZBQOSA-N 1 2 359.495 2.362 10 0 FEAELO CCc1ccc(-c2nc(CC(=O)NC[C@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC000110673492 543364509 /nfs/dbraw/zinc/36/45/09/543364509.db2.gz MAMHXCPQAPKZEX-KRWDZBQOSA-N 1 2 359.495 2.362 10 0 FEAELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000111308535 543395318 /nfs/dbraw/zinc/39/53/18/543395318.db2.gz CQPNPAUELBXLIE-HNNXBMFYSA-N 1 2 365.861 2.434 10 0 FEAELO CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CCCN1C(=O)CNC1=O ZINC000111308535 543395319 /nfs/dbraw/zinc/39/53/19/543395319.db2.gz CQPNPAUELBXLIE-HNNXBMFYSA-N 1 2 365.861 2.434 10 0 FEAELO CCn1cc(CN2CCC[N@H+](Cc3c(C)nn(C)c3Cl)CC2)cn1 ZINC000112731351 543460867 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Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000115745559 543583860 /nfs/dbraw/zinc/58/38/60/543583860.db2.gz ODJFIORUCSCLMR-UHFFFAOYSA-N 1 2 370.501 2.453 10 0 FEAELO Cn1ncc2c1nc(-c1cccc3n[nH]cc31)nc2OCCn1cc[nH+]c1 ZINC000118275044 543649563 /nfs/dbraw/zinc/64/95/63/543649563.db2.gz DWNFGXZXGXSEES-UHFFFAOYSA-N 1 2 360.381 2.182 10 0 FEAELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000124426277 543820648 /nfs/dbraw/zinc/82/06/48/543820648.db2.gz XOFHWGOBUBBAKZ-AWEZNQCLSA-N 1 2 353.260 2.304 10 0 FEAELO CSc1cnn(-c2ccccc2)c1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000126635353 543948184 /nfs/dbraw/zinc/94/81/84/543948184.db2.gz MUTOVRFBTJBCKG-CQSZACIVSA-N 1 2 361.471 2.046 10 0 FEAELO CSc1cnn(-c2ccccc2)c1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000126635353 543948186 /nfs/dbraw/zinc/94/81/86/543948186.db2.gz MUTOVRFBTJBCKG-CQSZACIVSA-N 1 2 361.471 2.046 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)CCc3cnn(C)c3C)CC2)cs1 ZINC000130688739 544160805 /nfs/dbraw/zinc/16/08/05/544160805.db2.gz 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ZINC000135334960 544342492 /nfs/dbraw/zinc/34/24/92/544342492.db2.gz WUMLEQNIOLHJFA-DOMZBBRYSA-N 1 2 366.824 2.376 10 0 FEAELO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2nnc3n2CCCC3)C1=O ZINC000151609227 544561950 /nfs/dbraw/zinc/56/19/50/544561950.db2.gz MDXGIPPSPLQHPI-UONOGXRCSA-N 1 2 355.442 2.079 10 0 FEAELO CCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152901589 544709584 /nfs/dbraw/zinc/70/95/84/544709584.db2.gz CPSUVOMWXIRRGM-MRXNPFEDSA-N 1 2 356.470 2.374 10 0 FEAELO Cc1ccccc1-c1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n(C)n1 ZINC000153325650 544761782 /nfs/dbraw/zinc/76/17/82/544761782.db2.gz CQEZQQIRXQMBSA-INIZCTEOSA-N 1 2 369.469 2.334 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000179649471 327653729 /nfs/dbraw/zinc/65/37/29/327653729.db2.gz ATCRCEOUXIHBNX-QAPCUYQASA-N 1 2 374.481 2.435 10 0 FEAELO Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)nn1-c1cccc(F)c1 ZINC000180754560 327700638 /nfs/dbraw/zinc/70/06/38/327700638.db2.gz QGYWFFPMKJVHMC-AWEZNQCLSA-N 1 2 361.421 2.162 10 0 FEAELO COc1ccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C)c1 ZINC000182810322 327789784 /nfs/dbraw/zinc/78/97/84/327789784.db2.gz ZYJUONHGHZOMGB-UHFFFAOYSA-N 1 2 370.453 2.384 10 0 FEAELO CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000186083271 327946063 /nfs/dbraw/zinc/94/60/63/327946063.db2.gz JMJLVEAHSOXEKO-DSKINZAPSA-N 1 2 360.498 2.253 10 0 FEAELO C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000187480452 328028917 /nfs/dbraw/zinc/02/89/17/328028917.db2.gz WSSAHFOVFUJSRJ-ZFWWWQNUSA-N 1 2 372.387 2.406 10 0 FEAELO C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000188877804 328115434 /nfs/dbraw/zinc/11/54/34/328115434.db2.gz GAAYAIOECSURNG-CQSZACIVSA-N 1 2 367.453 2.243 10 0 FEAELO O=C(c1cc(Br)ncc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000188891400 328116112 /nfs/dbraw/zinc/11/61/12/328116112.db2.gz RGUWAUGRHOCQRA-SNVBAGLBSA-N 1 2 374.666 2.044 10 0 FEAELO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190492863 328211089 /nfs/dbraw/zinc/21/10/89/328211089.db2.gz MNSLSRHGPDJJNL-MRXNPFEDSA-N 1 2 365.522 2.234 10 0 FEAELO CCn1c(C)nnc1C[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190492863 328211090 /nfs/dbraw/zinc/21/10/90/328211090.db2.gz MNSLSRHGPDJJNL-MRXNPFEDSA-N 1 2 365.522 2.234 10 0 FEAELO O=C(Nc1ccccc1OCC1CC1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190764544 328231173 /nfs/dbraw/zinc/23/11/73/328231173.db2.gz GEABORJNRUHYAG-MRXNPFEDSA-N 1 2 368.437 2.302 10 0 FEAELO Cc1csc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1Br ZINC000190952406 328241800 /nfs/dbraw/zinc/24/18/00/328241800.db2.gz VKBQWEQQZYXCPC-WDEREUQCSA-N 1 2 361.305 2.346 10 0 FEAELO Cc1csc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1Br ZINC000190952406 328241801 /nfs/dbraw/zinc/24/18/01/328241801.db2.gz VKBQWEQQZYXCPC-WDEREUQCSA-N 1 2 361.305 2.346 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccc(N(C)C(C)C)nc3)CC2)n1 ZINC000191339730 328260903 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COc1ccc([C@@H](C)CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173895130 327292061 /nfs/dbraw/zinc/29/20/61/327292061.db2.gz FTVNCZLDOOPYHO-FUHWJXTLSA-N 1 2 361.486 2.305 10 0 FEAELO O=C(Nc1ccc(F)cc1OC(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173905721 327293317 /nfs/dbraw/zinc/29/33/17/327293317.db2.gz JFSBRLNTDJIRPC-LBPRGKRZSA-N 1 2 359.348 2.366 10 0 FEAELO COc1ccc(C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173906719 327293463 /nfs/dbraw/zinc/29/34/63/327293463.db2.gz HUVBLVFCIMBIRV-QGZVFWFLSA-N 1 2 361.486 2.089 10 0 FEAELO Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c21 ZINC000173908403 327293595 /nfs/dbraw/zinc/29/35/95/327293595.db2.gz BHLHWPAEFACXPV-KRWDZBQOSA-N 1 2 356.470 2.135 10 0 FEAELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)N(Cc1ccco1)c1ccccc1 ZINC000173946447 327296690 /nfs/dbraw/zinc/29/66/90/327296690.db2.gz PJJBPCZMEBDLMM-IBGZPJMESA-N 1 2 369.465 2.219 10 0 FEAELO C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173958813 327297695 /nfs/dbraw/zinc/29/76/95/327297695.db2.gz GSLHKIWGYSZJFH-GUYCJALGSA-N 1 2 358.417 2.009 10 0 FEAELO Fc1ccc(-n2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)c3c2CCC3)cc1 ZINC000173988059 327299778 /nfs/dbraw/zinc/29/97/78/327299778.db2.gz FWIQDWJBAMFVGZ-GOSISDBHSA-N 1 2 370.472 2.407 10 0 FEAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000173989161 327300080 /nfs/dbraw/zinc/30/00/80/327300080.db2.gz GTEFTOVSZGDWRE-GFCCVEGCSA-N 1 2 358.269 2.338 10 0 FEAELO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000174224421 327314091 /nfs/dbraw/zinc/31/40/91/327314091.db2.gz QZKGTNXMAFJODW-HIFRSBDPSA-N 1 2 353.413 2.184 10 0 FEAELO COC(C)(C)CNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000174950779 327363000 /nfs/dbraw/zinc/36/30/00/327363000.db2.gz FPBHGHPBZBXWLG-CQSZACIVSA-N 1 2 355.504 2.188 10 0 FEAELO CC[C@H](C)[C@@H](O)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174982331 327365347 /nfs/dbraw/zinc/36/53/47/327365347.db2.gz SQSWGSNDMHBAKJ-BPUTZDHNSA-N 1 2 369.531 2.136 10 0 FEAELO C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC000175004809 327367285 /nfs/dbraw/zinc/36/72/85/327367285.db2.gz ZHAFTONHXAOAIG-ZIAGYGMSSA-N 1 2 355.866 2.127 10 0 FEAELO CO[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000175002676 327367322 /nfs/dbraw/zinc/36/73/22/327367322.db2.gz CITKAKZXJWKPKK-BBRMVZONSA-N 1 2 355.866 2.047 10 0 FEAELO CC[C@@H]1COCCN1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175029420 327369199 /nfs/dbraw/zinc/36/91/99/327369199.db2.gz JQJRWGOQKIOTAS-OAGGEKHMSA-N 1 2 367.515 2.330 10 0 FEAELO CC[C@@H]1COCCN1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175029420 327369200 /nfs/dbraw/zinc/36/92/00/327369200.db2.gz JQJRWGOQKIOTAS-OAGGEKHMSA-N 1 2 367.515 2.330 10 0 FEAELO O=C(NC1CC1)c1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000176338371 327449854 /nfs/dbraw/zinc/44/98/54/327449854.db2.gz SGUVHEXFECWCSA-QGZVFWFLSA-N 1 2 353.426 2.472 10 0 FEAELO COc1ccc(CN(C)C(=O)C[S@@](=O)Cc2[nH+]ccn2C(C)C)cc1 ZINC000176883691 327481413 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Cc1cc(C)n(-c2ccccc2CNC(=O)NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000155418657 545523713 /nfs/dbraw/zinc/52/37/13/545523713.db2.gz ZMCNVRJYHCUWCQ-KRWDZBQOSA-N 1 2 371.485 2.009 10 0 FEAELO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C ZINC000247568687 549359718 /nfs/dbraw/zinc/35/97/18/549359718.db2.gz GXEZLCNHWWMOTQ-PKOBYXMFSA-N 1 2 356.470 2.078 10 0 FEAELO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1C ZINC000247568687 549359721 /nfs/dbraw/zinc/35/97/21/549359721.db2.gz GXEZLCNHWWMOTQ-PKOBYXMFSA-N 1 2 356.470 2.078 10 0 FEAELO CCOc1ccc(C[NH+]2CCN(C(=O)NCCn3cc(C)cn3)CC2)cc1 ZINC000172292911 546244863 /nfs/dbraw/zinc/24/48/63/546244863.db2.gz IGCDFOGHNQWWSI-UHFFFAOYSA-N 1 2 371.485 2.118 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)ccc1OC(F)F ZINC000173759567 546286630 /nfs/dbraw/zinc/28/66/30/546286630.db2.gz DLVHBWMURLVTHM-CQSZACIVSA-N 1 2 354.357 2.297 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)ccc1OC(F)F ZINC000173759567 546286632 /nfs/dbraw/zinc/28/66/32/546286632.db2.gz DLVHBWMURLVTHM-CQSZACIVSA-N 1 2 354.357 2.297 10 0 FEAELO CC[C@@H]1CN(C(=O)c2sc([C@@H](C)OC)nc2C)CC[N@@H+]1CCOC ZINC000176756707 546484661 /nfs/dbraw/zinc/48/46/61/546484661.db2.gz GDOYVKFPMCWKQY-ZIAGYGMSSA-N 1 2 355.504 2.342 10 0 FEAELO CC[C@@H]1CN(C(=O)c2sc([C@@H](C)OC)nc2C)CC[N@H+]1CCOC ZINC000176756707 546484664 /nfs/dbraw/zinc/48/46/64/546484664.db2.gz GDOYVKFPMCWKQY-ZIAGYGMSSA-N 1 2 355.504 2.342 10 0 FEAELO C[C@H]1CN(C(=O)Nc2cnc(-c3ccccc3)nc2)C[C@H]1[NH+]1CCOCC1 ZINC000177233151 546575800 /nfs/dbraw/zinc/57/58/00/546575800.db2.gz CJEOVJRSEIHDNX-MAUKXSAKSA-N 1 2 367.453 2.328 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000177238160 546577636 /nfs/dbraw/zinc/57/76/36/546577636.db2.gz XCYXSQDJGQNEBX-LRDDRELGSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000177238160 546577639 /nfs/dbraw/zinc/57/76/39/546577639.db2.gz XCYXSQDJGQNEBX-LRDDRELGSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000177238160 546577644 /nfs/dbraw/zinc/57/76/44/546577644.db2.gz XCYXSQDJGQNEBX-LRDDRELGSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177265443 546582268 /nfs/dbraw/zinc/58/22/68/546582268.db2.gz GBQQFGYZYMADSU-CJNGLKHVSA-N 1 2 371.403 2.296 10 0 FEAELO Cc1nc(C[C@@H]2CCCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)no1 ZINC000177787157 546686736 /nfs/dbraw/zinc/68/67/36/546686736.db2.gz NFGMQSPKNVYLLT-HNNXBMFYSA-N 1 2 354.414 2.190 10 0 FEAELO C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000177909087 546707301 /nfs/dbraw/zinc/70/73/01/546707301.db2.gz OMTKXSREVBHRMY-CYBMUJFWSA-N 1 2 372.450 2.298 10 0 FEAELO Cc1cccc(C(C)C)c1NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000180248661 547073682 /nfs/dbraw/zinc/07/36/82/547073682.db2.gz YFDIGVGDRWOUHB-WMZOPIPTSA-N 1 2 373.497 2.236 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000184411445 547823250 /nfs/dbraw/zinc/82/32/50/547823250.db2.gz CQGSUMBBZLQJGJ-DLBZAZTESA-N 1 2 369.456 2.185 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000184411445 547823255 /nfs/dbraw/zinc/82/32/55/547823255.db2.gz CQGSUMBBZLQJGJ-DLBZAZTESA-N 1 2 369.456 2.185 10 0 FEAELO O=C(NC1C[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000185934625 548061650 /nfs/dbraw/zinc/06/16/50/548061650.db2.gz BAVLJGSYOBSBIK-HNNXBMFYSA-N 1 2 356.388 2.209 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)CCO2)c1 ZINC000186948322 548226808 /nfs/dbraw/zinc/22/68/08/548226808.db2.gz KWIOJQKOMGJTAH-SFHVURJKSA-N 1 2 354.454 2.002 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)CCO2)c1 ZINC000186948322 548226811 /nfs/dbraw/zinc/22/68/11/548226811.db2.gz KWIOJQKOMGJTAH-SFHVURJKSA-N 1 2 354.454 2.002 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[N@@H+]1CCOC ZINC000189631376 548306107 /nfs/dbraw/zinc/30/61/07/548306107.db2.gz NIALUVTWXRVHDL-ZDUSSCGKSA-N 1 2 369.462 2.038 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC[N@H+]1CCOC ZINC000189631376 548306111 /nfs/dbraw/zinc/30/61/11/548306111.db2.gz NIALUVTWXRVHDL-ZDUSSCGKSA-N 1 2 369.462 2.038 10 0 FEAELO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194607011 548503516 /nfs/dbraw/zinc/50/35/16/548503516.db2.gz ZVDBXCJWAUWDJP-AAEUAGOBSA-N 1 2 373.316 2.377 10 0 FEAELO C[C@H](Sc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194607011 548503520 /nfs/dbraw/zinc/50/35/20/548503520.db2.gz ZVDBXCJWAUWDJP-AAEUAGOBSA-N 1 2 373.316 2.377 10 0 FEAELO COc1ccc(F)cc1C[NH+]1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000195028756 548566186 /nfs/dbraw/zinc/56/61/86/548566186.db2.gz HWESSBAQGYOGPX-UHFFFAOYSA-N 1 2 361.465 2.404 10 0 FEAELO CC(C)n1nnnc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000195112549 548577962 /nfs/dbraw/zinc/57/79/62/548577962.db2.gz ZXFKJYWOUVJDOW-UHFFFAOYSA-N 1 2 354.458 2.055 10 0 FEAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NCCOc1cccc(Cl)c1 ZINC000195507302 548652149 /nfs/dbraw/zinc/65/21/49/548652149.db2.gz LJOUDSCPWUHXLA-UHFFFAOYSA-N 1 2 362.861 2.438 10 0 FEAELO Cc1ncc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000245555824 548945367 /nfs/dbraw/zinc/94/53/67/548945367.db2.gz CTCWNKOMCQCSDN-BLLLJJGKSA-N 1 2 360.483 2.347 10 0 FEAELO Cc1ncc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000245555824 548945369 /nfs/dbraw/zinc/94/53/69/548945369.db2.gz CTCWNKOMCQCSDN-BLLLJJGKSA-N 1 2 360.483 2.347 10 0 FEAELO CS(=O)(=O)CCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246508244 549149225 /nfs/dbraw/zinc/14/92/25/549149225.db2.gz BOBSETOLEFBCOC-KGLIPLIRSA-N 1 2 351.390 2.248 10 0 FEAELO CS(=O)(=O)CCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246508244 549149231 /nfs/dbraw/zinc/14/92/31/549149231.db2.gz BOBSETOLEFBCOC-KGLIPLIRSA-N 1 2 351.390 2.248 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000246536663 549155804 /nfs/dbraw/zinc/15/58/04/549155804.db2.gz SIGKYGDQDFCISM-BLLLJJGKSA-N 1 2 355.841 2.070 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246743169 549201639 /nfs/dbraw/zinc/20/16/39/549201639.db2.gz WWPAJODXZQAWCO-UYAOXDASSA-N 1 2 370.497 2.330 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000246743169 549201643 /nfs/dbraw/zinc/20/16/43/549201643.db2.gz WWPAJODXZQAWCO-UYAOXDASSA-N 1 2 370.497 2.330 10 0 FEAELO Cc1cc(C)n(CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)n1 ZINC000246817902 549220290 /nfs/dbraw/zinc/22/02/90/549220290.db2.gz KLJIZKKDKKFTRB-HOTGVXAUSA-N 1 2 362.499 2.140 10 0 FEAELO Cc1cc(C)n(CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000246817902 549220293 /nfs/dbraw/zinc/22/02/93/549220293.db2.gz KLJIZKKDKKFTRB-HOTGVXAUSA-N 1 2 362.499 2.140 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CCO2)[nH]1 ZINC000246898697 549238593 /nfs/dbraw/zinc/23/85/93/549238593.db2.gz XPLKPOUBCPUQPC-DZGCQCFKSA-N 1 2 370.375 2.109 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CCO2)[nH]1 ZINC000246898697 549238595 /nfs/dbraw/zinc/23/85/95/549238595.db2.gz XPLKPOUBCPUQPC-DZGCQCFKSA-N 1 2 370.375 2.109 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)C[C@H](C)CC)CC2)cn1 ZINC000246997042 549259744 /nfs/dbraw/zinc/25/97/44/549259744.db2.gz PWCAJOLBJFIXHN-MRXNPFEDSA-N 1 2 356.536 2.177 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)C[C@H](C)CC)CC2)cn1 ZINC000246997042 549259748 /nfs/dbraw/zinc/25/97/48/549259748.db2.gz PWCAJOLBJFIXHN-MRXNPFEDSA-N 1 2 356.536 2.177 10 0 FEAELO CC[C@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000247041364 549271233 /nfs/dbraw/zinc/27/12/33/549271233.db2.gz OGAJXSNDYZDPBA-HOCLYGCPSA-N 1 2 372.469 2.003 10 0 FEAELO CC[C@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC[N@H+]1C[C@H](C)O ZINC000247041364 549271236 /nfs/dbraw/zinc/27/12/36/549271236.db2.gz OGAJXSNDYZDPBA-HOCLYGCPSA-N 1 2 372.469 2.003 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000247984142 549397749 /nfs/dbraw/zinc/39/77/49/549397749.db2.gz KENSMJNYIRXPBI-GOSISDBHSA-N 1 2 355.438 2.365 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000247984142 549397754 /nfs/dbraw/zinc/39/77/54/549397754.db2.gz KENSMJNYIRXPBI-GOSISDBHSA-N 1 2 355.438 2.365 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCSCC2)c2cccs2)CCO1 ZINC000248359298 549422055 /nfs/dbraw/zinc/42/20/55/549422055.db2.gz RUQRZGLJYWOBCJ-ZIAGYGMSSA-N 1 2 355.529 2.268 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCSCC2)c2cccs2)CCO1 ZINC000248359298 549422058 /nfs/dbraw/zinc/42/20/58/549422058.db2.gz RUQRZGLJYWOBCJ-ZIAGYGMSSA-N 1 2 355.529 2.268 10 0 FEAELO COC1(CNC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CCC1 ZINC000248409105 549431389 /nfs/dbraw/zinc/43/13/89/549431389.db2.gz FPRWMBFIDWUIKO-LSDHHAIUSA-N 1 2 367.515 2.378 10 0 FEAELO COC1(CNC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CCC1 ZINC000248409105 549431391 /nfs/dbraw/zinc/43/13/91/549431391.db2.gz FPRWMBFIDWUIKO-LSDHHAIUSA-N 1 2 367.515 2.378 10 0 FEAELO Cc1csc([C@H]2C[N@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)n1 ZINC000249894376 549633615 /nfs/dbraw/zinc/63/36/15/549633615.db2.gz RGPPXOBBDPHSQP-GDBMZVCRSA-N 1 2 352.431 2.404 10 0 FEAELO Cc1csc([C@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CCO2)n1 ZINC000249894376 549633618 /nfs/dbraw/zinc/63/36/18/549633618.db2.gz RGPPXOBBDPHSQP-GDBMZVCRSA-N 1 2 352.431 2.404 10 0 FEAELO COC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000252648824 549675691 /nfs/dbraw/zinc/67/56/91/549675691.db2.gz NIXQZURAFWHLNV-UONOGXRCSA-N 1 2 355.504 2.234 10 0 FEAELO COC(C)(C)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000252648824 549675694 /nfs/dbraw/zinc/67/56/94/549675694.db2.gz NIXQZURAFWHLNV-UONOGXRCSA-N 1 2 355.504 2.234 10 0 FEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000263126736 549879570 /nfs/dbraw/zinc/87/95/70/549879570.db2.gz BHXWFVQLFBKWHA-KGLIPLIRSA-N 1 2 361.396 2.175 10 0 FEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000263126736 549879572 /nfs/dbraw/zinc/87/95/72/549879572.db2.gz BHXWFVQLFBKWHA-KGLIPLIRSA-N 1 2 361.396 2.175 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000263501118 549905650 /nfs/dbraw/zinc/90/56/50/549905650.db2.gz KUNIRRULIPDEDX-AWEZNQCLSA-N 1 2 362.470 2.390 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000263501118 549905653 /nfs/dbraw/zinc/90/56/53/549905653.db2.gz KUNIRRULIPDEDX-AWEZNQCLSA-N 1 2 362.470 2.390 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NCc2ccn(-c3ccccc3)n2)[nH+]cn1 ZINC000301249963 553635553 /nfs/dbraw/zinc/63/55/53/553635553.db2.gz PHUJGIYPPCHQJB-KRWDZBQOSA-N 1 2 350.426 2.236 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NCc2ccn(-c3ccccc3)n2)nc[nH+]1 ZINC000301249963 553635554 /nfs/dbraw/zinc/63/55/54/553635554.db2.gz PHUJGIYPPCHQJB-KRWDZBQOSA-N 1 2 350.426 2.236 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000301650535 553669130 /nfs/dbraw/zinc/66/91/30/553669130.db2.gz PUHIZIPRUPEPOK-FZMZJTMJSA-N 1 2 373.438 2.027 10 0 FEAELO CNc1c(Cl)ncnc1N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000302216519 553711590 /nfs/dbraw/zinc/71/15/90/553711590.db2.gz IVNXUKLRTGOBBD-GJZGRUSLSA-N 1 2 359.861 2.261 10 0 FEAELO CNc1c(Cl)ncnc1N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000302216519 553711592 /nfs/dbraw/zinc/71/15/92/553711592.db2.gz IVNXUKLRTGOBBD-GJZGRUSLSA-N 1 2 359.861 2.261 10 0 FEAELO CN1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328623162 553797884 /nfs/dbraw/zinc/79/78/84/553797884.db2.gz IYTXJTVRBVUNOP-KRWDZBQOSA-N 1 2 358.467 2.015 10 0 FEAELO CC(C)(C)OC(=O)Nc1ncccc1[C@H](O)[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000536956816 562583198 /nfs/dbraw/zinc/58/31/98/562583198.db2.gz AJOZBKZKANWTMR-RYUDHWBXSA-N 1 2 353.419 2.131 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)s1 ZINC000111165210 670855086 /nfs/dbraw/zinc/85/50/86/670855086.db2.gz FUAOZZLMSBKERR-UHFFFAOYSA-N 1 2 374.297 2.090 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc(Cl)nc2)CC1 ZINC000115633837 670898397 /nfs/dbraw/zinc/89/83/97/670898397.db2.gz JGFVNDHLZWODKL-UHFFFAOYSA-N 1 2 362.865 2.435 10 0 FEAELO C[C@H](CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[NH+]1CCOCC1 ZINC000177044386 672379541 /nfs/dbraw/zinc/37/95/41/672379541.db2.gz OAUFINIRQGWILK-ABAIWWIYSA-N 1 2 361.269 2.254 10 0 FEAELO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000181379008 672426211 /nfs/dbraw/zinc/42/62/11/672426211.db2.gz RMKZZZPWXDPWJY-ZIAGYGMSSA-N 1 2 365.499 2.425 10 0 FEAELO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000181379008 672426213 /nfs/dbraw/zinc/42/62/13/672426213.db2.gz RMKZZZPWXDPWJY-ZIAGYGMSSA-N 1 2 365.499 2.425 10 0 FEAELO COc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(C)c1F ZINC000181704733 672429590 /nfs/dbraw/zinc/42/95/90/672429590.db2.gz AXGMZDYDSXXWNM-ZDUSSCGKSA-N 1 2 353.419 2.193 10 0 FEAELO C[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000191838310 672675878 /nfs/dbraw/zinc/67/58/78/672675878.db2.gz UPQNUPLISOLPMW-QLFBSQMISA-N 1 2 350.463 2.423 10 0 FEAELO C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccn2)C[C@H]1[NH+]1CCOCC1 ZINC000192424846 672690144 /nfs/dbraw/zinc/69/01/44/672690144.db2.gz UJZWGULBZDQSHH-WCQYABFASA-N 1 2 358.364 2.285 10 0 FEAELO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000247646591 672852018 /nfs/dbraw/zinc/85/20/18/672852018.db2.gz UNHRSTXDMXLJBO-HCXYKTFWSA-N 1 2 352.519 2.397 10 0 FEAELO Cn1cc(O[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]2O)cn1 ZINC000628376457 676800699 /nfs/dbraw/zinc/80/06/99/676800699.db2.gz WPNKMPFWMSMAJZ-HUUCEWRRSA-N 1 2 359.323 2.202 10 0 FEAELO Cn1cc(O[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)C[C@H]2O)cn1 ZINC000628376457 676800701 /nfs/dbraw/zinc/80/07/01/676800701.db2.gz WPNKMPFWMSMAJZ-HUUCEWRRSA-N 1 2 359.323 2.202 10 0 FEAELO O=S(=O)(Cc1ccccc1Cl)Nc1ccc([C@H]2CCC[NH2+]2)nn1 ZINC000888076028 688544697 /nfs/dbraw/zinc/54/46/97/688544697.db2.gz QNCXDWXTKZQNOV-CYBMUJFWSA-N 1 2 352.847 2.496 10 0 FEAELO O=S(=O)(c1ccc(Br)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000040436487 540010525 /nfs/dbraw/zinc/01/05/25/540010525.db2.gz BHWCYCDBZDCTOU-CYBMUJFWSA-N 1 2 359.289 2.308 10 0 FEAELO O=S(=O)(c1ccc(Br)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000040436487 540010526 /nfs/dbraw/zinc/01/05/26/540010526.db2.gz BHWCYCDBZDCTOU-CYBMUJFWSA-N 1 2 359.289 2.308 10 0 FEAELO C[C@@H](NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000051293437 540429744 /nfs/dbraw/zinc/42/97/44/540429744.db2.gz LGSFRKITUNDNQS-QGZVFWFLSA-N 1 2 355.482 2.293 10 0 FEAELO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000051293437 540429747 /nfs/dbraw/zinc/42/97/47/540429747.db2.gz LGSFRKITUNDNQS-QGZVFWFLSA-N 1 2 355.482 2.293 10 0 FEAELO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051996193 540450939 /nfs/dbraw/zinc/45/09/39/540450939.db2.gz VTWLTVFUVBOUIC-ZWKOTPCHSA-N 1 2 374.481 2.450 10 0 FEAELO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051996193 540450941 /nfs/dbraw/zinc/45/09/41/540450941.db2.gz VTWLTVFUVBOUIC-ZWKOTPCHSA-N 1 2 374.481 2.450 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H]1CCOc2c(Cl)cccc21)[NH+]1CCOCC1 ZINC000056805540 540747085 /nfs/dbraw/zinc/74/70/85/540747085.db2.gz AGSSTOPKXUQJPN-SWLSCSKDSA-N 1 2 353.850 2.184 10 0 FEAELO COC(=O)[C@@H]1C[C@@H](Nc2nc(-c3ccccc3O)nc3ccccc32)C[NH2+]1 ZINC000059276664 540863696 /nfs/dbraw/zinc/86/36/96/540863696.db2.gz RKVQETBRWSXNLR-WBMJQRKESA-N 1 2 364.405 2.318 10 0 FEAELO CSCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000012715350 220021456 /nfs/dbraw/zinc/02/14/56/220021456.db2.gz QKGDGIIMFKYBJQ-SFHVURJKSA-N 1 2 371.506 2.010 10 0 FEAELO CSCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000012715350 220021459 /nfs/dbraw/zinc/02/14/59/220021459.db2.gz QKGDGIIMFKYBJQ-SFHVURJKSA-N 1 2 371.506 2.010 10 0 FEAELO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000077367320 542373559 /nfs/dbraw/zinc/37/35/59/542373559.db2.gz NFUZMUWJNUONHA-IYBDPMFKSA-N 1 2 370.497 2.274 10 0 FEAELO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000077367320 542373561 /nfs/dbraw/zinc/37/35/61/542373561.db2.gz NFUZMUWJNUONHA-IYBDPMFKSA-N 1 2 370.497 2.274 10 0 FEAELO Cc1nc(-n2cccn2)cc(N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)[nH+]1 ZINC000072155918 136142997 /nfs/dbraw/zinc/14/29/97/136142997.db2.gz PKPFXVILJWKTLM-FQEVSTJZSA-N 1 2 360.421 2.461 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000101564256 543033142 /nfs/dbraw/zinc/03/31/42/543033142.db2.gz WREJNUIYVKAJDU-KRWDZBQOSA-N 1 2 374.485 2.332 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000101564256 543033145 /nfs/dbraw/zinc/03/31/45/543033145.db2.gz WREJNUIYVKAJDU-KRWDZBQOSA-N 1 2 374.485 2.332 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000104799942 543145273 /nfs/dbraw/zinc/14/52/73/543145273.db2.gz VZOYAZDVMNOLIE-MRXNPFEDSA-N 1 2 356.470 2.388 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)C1 ZINC000104799942 543145276 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325585060 /nfs/dbraw/zinc/58/50/60/325585060.db2.gz DUMFXGWPOBADLS-HOTGVXAUSA-N 1 2 371.485 2.498 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3)CC2)n1 ZINC000106140257 325585681 /nfs/dbraw/zinc/58/56/81/325585681.db2.gz NNEWNSBJSOGQNI-HOTGVXAUSA-N 1 2 371.485 2.016 10 0 FEAELO CCc1nnc2ccc(N3CCC[N@H+](Cc4csc(C)n4)CC3)nn21 ZINC000116261470 326002076 /nfs/dbraw/zinc/00/20/76/326002076.db2.gz XYCQNTBICMLOJV-UHFFFAOYSA-N 1 2 357.487 2.164 10 0 FEAELO CCc1nnc2ccc(N3CCC[N@@H+](Cc4csc(C)n4)CC3)nn21 ZINC000116261470 326002079 /nfs/dbraw/zinc/00/20/79/326002079.db2.gz XYCQNTBICMLOJV-UHFFFAOYSA-N 1 2 357.487 2.164 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2F)C[C@@H]1CC ZINC000116899096 326041352 /nfs/dbraw/zinc/04/13/52/326041352.db2.gz SYPZCOPPKKQOHB-ZDUSSCGKSA-N 1 2 362.442 2.086 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2F)C[C@@H]1CC ZINC000116899096 326041355 /nfs/dbraw/zinc/04/13/55/326041355.db2.gz SYPZCOPPKKQOHB-ZDUSSCGKSA-N 1 2 362.442 2.086 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCO[C@H](C)CC(C)C)nc[nH+]1 ZINC000121380434 326334098 /nfs/dbraw/zinc/33/40/98/326334098.db2.gz UDCSOCJHOSXAIA-HZPDHXFCSA-N 1 2 363.506 2.445 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCO[C@H](C)CC(C)C)[nH+]cn1 ZINC000121380434 326334100 /nfs/dbraw/zinc/33/41/00/326334100.db2.gz UDCSOCJHOSXAIA-HZPDHXFCSA-N 1 2 363.506 2.445 10 0 FEAELO CCOc1cc(C)nc(N2CCN(Cc3c[nH+]c4ccc(C)cn34)CC2)n1 ZINC000121537385 326345817 /nfs/dbraw/zinc/34/58/17/326345817.db2.gz PVKZWDLROBBTSS-UHFFFAOYSA-N 1 2 366.469 2.462 10 0 FEAELO CCOc1cc(C)nc(N2CC[NH+](Cc3cnc4ccc(C)cn34)CC2)n1 ZINC000121537385 326345820 /nfs/dbraw/zinc/34/58/20/326345820.db2.gz PVKZWDLROBBTSS-UHFFFAOYSA-N 1 2 366.469 2.462 10 0 FEAELO COc1cc(OC)cc([C@H](NC(=O)[C@@H]2CC[C@@H](C)O2)c2[nH+]ccn2C)c1 ZINC000125904427 326479883 /nfs/dbraw/zinc/47/98/83/326479883.db2.gz GSDQYPLOVHQPSN-DQYPLSBCSA-N 1 2 359.426 2.210 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)Cc2ccc(O)cc2)[NH+]2CCOCC2)s1 ZINC000134118904 326619959 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O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)N(Cc1ccco1)CC(F)(F)F ZINC000171528471 327144205 /nfs/dbraw/zinc/14/42/05/327144205.db2.gz IETNFHBXXNTCMY-CYBMUJFWSA-N 1 2 371.363 2.099 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000171675154 327154154 /nfs/dbraw/zinc/15/41/54/327154154.db2.gz VODNHCSVHAOXOU-RBSFLKMASA-N 1 2 355.504 2.272 10 0 FEAELO CCN(CC)C(=O)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000171868059 327166874 /nfs/dbraw/zinc/16/68/74/327166874.db2.gz NAJZQBKTXDQVPT-UHFFFAOYSA-N 1 2 363.506 2.260 10 0 FEAELO CCn1c2ccccc2nc1SCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172748708 327216600 /nfs/dbraw/zinc/21/66/00/327216600.db2.gz NTEZAAFDFMDXAM-HNNXBMFYSA-N 1 2 374.510 2.081 10 0 FEAELO Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2)n1 ZINC000172754785 327217282 /nfs/dbraw/zinc/21/72/82/327217282.db2.gz VPWLFSMSRXKLAT-IBGZPJMESA-N 1 2 354.454 2.036 10 0 FEAELO COc1cc(Br)ccc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172759606 327217508 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373.416 2.460 10 0 FEAELO C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000173945631 327296487 /nfs/dbraw/zinc/29/64/87/327296487.db2.gz NNGMNQOQKCMIKD-CQSZACIVSA-N 1 2 361.405 2.393 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173961417 327298237 /nfs/dbraw/zinc/29/82/37/327298237.db2.gz WPEDKJHVVQXNHD-QAPCUYQASA-N 1 2 373.497 2.464 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@@H]1[NH+]1CCOCC1 ZINC000173960787 327298286 /nfs/dbraw/zinc/29/82/86/327298286.db2.gz KAFMRNXVMGTHKJ-UZLBHIALSA-N 1 2 353.466 2.485 10 0 FEAELO CC(C)c1ncc(Cl)c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000173969718 327298709 /nfs/dbraw/zinc/29/87/09/327298709.db2.gz PVOMSZRHXSXWFY-GXTWGEPZSA-N 1 2 352.866 2.046 10 0 FEAELO C[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000173973068 327298971 /nfs/dbraw/zinc/29/89/71/327298971.db2.gz PZPGFJVABWKVDU-OXJNMPFZSA-N 1 2 370.493 2.317 10 0 FEAELO 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CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247593485 549363271 /nfs/dbraw/zinc/36/32/71/549363271.db2.gz JWQKCJHXGUMUDT-MSOLQXFVSA-N 1 2 358.442 2.010 10 0 FEAELO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247593485 549363277 /nfs/dbraw/zinc/36/32/77/549363277.db2.gz JWQKCJHXGUMUDT-MSOLQXFVSA-N 1 2 358.442 2.010 10 0 FEAELO CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000248366886 549421605 /nfs/dbraw/zinc/42/16/05/549421605.db2.gz SQSWGSNDMHBAKJ-NUEKZKHPSA-N 1 2 369.531 2.136 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000248650585 549477492 /nfs/dbraw/zinc/47/74/92/549477492.db2.gz WXNCRQBDLQTLBX-HOTGVXAUSA-N 1 2 350.459 2.080 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000248650585 549477494 /nfs/dbraw/zinc/47/74/94/549477494.db2.gz WXNCRQBDLQTLBX-HOTGVXAUSA-N 1 2 350.459 2.080 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cn1 ZINC000248704012 549487154 /nfs/dbraw/zinc/48/71/54/549487154.db2.gz GJWHUQOGQBJJSR-AEFFLSMTSA-N 1 2 365.861 2.370 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cn1 ZINC000248704012 549487158 /nfs/dbraw/zinc/48/71/58/549487158.db2.gz GJWHUQOGQBJJSR-AEFFLSMTSA-N 1 2 365.861 2.370 10 0 FEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@H]1CCN(c2ccccc2)C1 ZINC000249723592 549619263 /nfs/dbraw/zinc/61/92/63/549619263.db2.gz OFQYHWWINMEYFG-YZGWKJHDSA-N 1 2 357.498 2.273 10 0 FEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NC[C@H]1CCN(c2ccccc2)C1 ZINC000249723592 549619266 /nfs/dbraw/zinc/61/92/66/549619266.db2.gz OFQYHWWINMEYFG-YZGWKJHDSA-N 1 2 357.498 2.273 10 0 FEAELO C/C=C\c1ccc(OCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(OC)c1 ZINC000255066267 549703296 /nfs/dbraw/zinc/70/32/96/549703296.db2.gz LZMUSDYDIHMMKI-IMBPEULASA-N 1 2 374.481 2.286 10 0 FEAELO O=C(CCn1cccn1)N1CCC2(CC[C@H](COc3cc[nH+]cc3)O2)CC1 ZINC000257191911 549715339 /nfs/dbraw/zinc/71/53/39/549715339.db2.gz RQRRKGCEBIJVIV-GOSISDBHSA-N 1 2 370.453 2.287 10 0 FEAELO COc1cc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc(OC)c1Br ZINC000262961566 549866105 /nfs/dbraw/zinc/86/61/05/549866105.db2.gz KTJLCSLFSMTKFE-QMMMGPOBSA-N 1 2 365.174 2.402 10 0 FEAELO C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)Oc1ccc(Br)cc1 ZINC000263140745 549880879 /nfs/dbraw/zinc/88/08/79/549880879.db2.gz CIZOOIRXDFLJSU-CABZTGNLSA-N 1 2 363.202 2.330 10 0 FEAELO O=C(N[C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263203179 549885772 /nfs/dbraw/zinc/88/57/72/549885772.db2.gz JIUBIWSEGIRFAA-PWSUYJOCSA-N 1 2 374.229 2.141 10 0 FEAELO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000263513897 549907130 /nfs/dbraw/zinc/90/71/30/549907130.db2.gz OEDFFJDGDUDQFU-UHFFFAOYSA-N 1 2 372.444 2.429 10 0 FEAELO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000263513897 549907133 /nfs/dbraw/zinc/90/71/33/549907133.db2.gz OEDFFJDGDUDQFU-UHFFFAOYSA-N 1 2 372.444 2.429 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CC=C(c2cccs2)CC1 ZINC000301303755 553640470 /nfs/dbraw/zinc/64/04/70/553640470.db2.gz WYJDYKNNNPDACN-UHFFFAOYSA-N 1 2 355.423 2.355 10 0 FEAELO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000328617211 553796549 /nfs/dbraw/zinc/79/65/49/553796549.db2.gz CLZYSJJBZAFTHH-UHFFFAOYSA-N 1 2 374.510 2.423 10 0 FEAELO C[N@@H+](Cc1nnc(C2CC2)[nH]1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328641110 553800965 /nfs/dbraw/zinc/80/09/65/553800965.db2.gz QISOQNLDWGVJNL-STQMWFEESA-N 1 2 350.467 2.183 10 0 FEAELO C[N@H+](Cc1nnc(C2CC2)[nH]1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328641110 553800966 /nfs/dbraw/zinc/80/09/66/553800966.db2.gz QISOQNLDWGVJNL-STQMWFEESA-N 1 2 350.467 2.183 10 0 FEAELO COc1cc(C(=O)N2CCC[C@@H](Nc3ccc(N(C)C)[nH+]c3)CC2)on1 ZINC000328647616 553801766 /nfs/dbraw/zinc/80/17/66/553801766.db2.gz UCXUWYPTBDLVOP-CYBMUJFWSA-N 1 2 359.430 2.251 10 0 FEAELO Cn1c2c(nc1[C@@H]1CCC[N@@H+]1CCn1c(=O)oc3cccnc31)CCCC2 ZINC000328655120 553803203 /nfs/dbraw/zinc/80/32/03/553803203.db2.gz YAUBNQYGOOCGNG-INIZCTEOSA-N 1 2 367.453 2.439 10 0 FEAELO Cn1c2c(nc1[C@@H]1CCC[N@H+]1CCn1c(=O)oc3cccnc31)CCCC2 ZINC000328655120 553803205 /nfs/dbraw/zinc/80/32/05/553803205.db2.gz YAUBNQYGOOCGNG-INIZCTEOSA-N 1 2 367.453 2.439 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cn3cc(Br)cn3)CC2)s1 ZINC000111165027 670855048 /nfs/dbraw/zinc/85/50/48/670855048.db2.gz RUAQYRBANBZKKA-UHFFFAOYSA-N 1 2 356.293 2.186 10 0 FEAELO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000122542346 671968018 /nfs/dbraw/zinc/96/80/18/671968018.db2.gz PROIJHIESCOTEY-ZBEGNZNMSA-N 1 2 350.415 2.106 10 0 FEAELO O=C(c1cccc(OC2C[NH+](Cc3cccs3)C2)c1)N1CCOCC1 ZINC000169773428 672321872 /nfs/dbraw/zinc/32/18/72/672321872.db2.gz MPOYWUBZWBKQCQ-UHFFFAOYSA-N 1 2 358.463 2.484 10 0 FEAELO COc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)nc1Br ZINC000183235822 672462915 /nfs/dbraw/zinc/46/29/15/672462915.db2.gz CRPGXVLBMTZAEK-LLVKDONJSA-N 1 2 365.231 2.354 10 0 FEAELO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)ccc1Cl ZINC000185655191 672531267 /nfs/dbraw/zinc/53/12/67/672531267.db2.gz GVOLDOQYBPJIDO-NSHDSACASA-N 1 2 370.818 2.298 10 0 FEAELO COC(=O)N[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(C)C ZINC000188754915 672597365 /nfs/dbraw/zinc/59/73/65/672597365.db2.gz JNIDOFISDITZHN-MRXNPFEDSA-N 1 2 367.877 2.195 10 0 FEAELO COC(=O)N[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C(C)C ZINC000188754915 672597368 /nfs/dbraw/zinc/59/73/68/672597368.db2.gz JNIDOFISDITZHN-MRXNPFEDSA-N 1 2 367.877 2.195 10 0 FEAELO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2cncc(Br)c2)C1 ZINC000263533431 672935919 /nfs/dbraw/zinc/93/59/19/672935919.db2.gz XWHZHURXJRYWBM-UHFFFAOYSA-N 1 2 368.275 2.261 10 0 FEAELO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2cncc(Br)c2)C1 ZINC000263533431 672935921 /nfs/dbraw/zinc/93/59/21/672935921.db2.gz XWHZHURXJRYWBM-UHFFFAOYSA-N 1 2 368.275 2.261 10 0 FEAELO COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000022135606 539691950 /nfs/dbraw/zinc/69/19/50/539691950.db2.gz GNWOSGYZQGCMJG-HIFRSBDPSA-N 1 2 372.259 2.216 10 0 FEAELO COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000022135606 539691952 /nfs/dbraw/zinc/69/19/52/539691952.db2.gz GNWOSGYZQGCMJG-HIFRSBDPSA-N 1 2 372.259 2.216 10 0 FEAELO COc1cccc(NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000027927598 539819912 /nfs/dbraw/zinc/81/99/12/539819912.db2.gz YCTCCDGWJLPKRG-UHFFFAOYSA-N 1 2 357.458 2.395 10 0 FEAELO C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC000029962858 539870999 /nfs/dbraw/zinc/87/09/99/539870999.db2.gz WQTIKZCKPKJJAD-CYBMUJFWSA-N 1 2 367.287 2.318 10 0 FEAELO C[C@@H](CNC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[NH+]1CCOCC1 ZINC000031370298 539906575 /nfs/dbraw/zinc/90/65/75/539906575.db2.gz QZUZJKCFSQJORS-NSHDSACASA-N 1 2 353.369 2.220 10 0 FEAELO CCNC(=O)N1CC[NH+]([C@H](C(=O)NC[C@@H](C)CC)C2CCCC2)CC1 ZINC000036310546 539989390 /nfs/dbraw/zinc/98/93/90/539989390.db2.gz WNZHVOVQGAKNRS-RDJZCZTQSA-N 1 2 352.523 2.055 10 0 FEAELO O=S(=O)(c1ccc(Br)s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000045815967 540229612 /nfs/dbraw/zinc/22/96/12/540229612.db2.gz RLGBBAADFCDXLJ-SNVBAGLBSA-N 1 2 365.318 2.369 10 0 FEAELO O=S(=O)(c1ccc(Br)s1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000045815967 540229614 /nfs/dbraw/zinc/22/96/14/540229614.db2.gz RLGBBAADFCDXLJ-SNVBAGLBSA-N 1 2 365.318 2.369 10 0 FEAELO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1cccc(OC(F)F)c1 ZINC000049130064 540381536 /nfs/dbraw/zinc/38/15/36/540381536.db2.gz KAIFQQWSENSXFN-QWHCGFSZSA-N 1 2 357.401 2.369 10 0 FEAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000068269769 541570617 /nfs/dbraw/zinc/57/06/17/541570617.db2.gz WJAFHWHBBWLJBC-AWEZNQCLSA-N 1 2 364.409 2.094 10 0 FEAELO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cnccn3)C2)nc[nH+]1 ZINC000065245143 221185533 /nfs/dbraw/zinc/18/55/33/221185533.db2.gz UVFGXLVNTKAZEQ-HNNXBMFYSA-N 1 2 369.473 2.011 10 0 FEAELO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cnccn3)C2)[nH+]cn1 ZINC000065245143 221185534 /nfs/dbraw/zinc/18/55/34/221185534.db2.gz UVFGXLVNTKAZEQ-HNNXBMFYSA-N 1 2 369.473 2.011 10 0 FEAELO Cc1[nH+]cc(I)c(N)c1I ZINC000095910895 542982898 /nfs/dbraw/zinc/98/28/98/542982898.db2.gz YWQRCBCLSHHDTH-UHFFFAOYSA-N 1 2 359.936 2.181 10 0 FEAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000101728949 543042519 /nfs/dbraw/zinc/04/25/19/543042519.db2.gz KTNFIKGSHIMJQK-MRXNPFEDSA-N 1 2 359.470 2.102 10 0 FEAELO CC[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1OC(F)F ZINC000104789004 543143830 /nfs/dbraw/zinc/14/38/30/543143830.db2.gz JBSNVNHDFZOUIB-JSGCOSHPSA-N 1 2 357.401 2.369 10 0 FEAELO CC[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1OC(F)F ZINC000104789004 543143832 /nfs/dbraw/zinc/14/38/32/543143832.db2.gz JBSNVNHDFZOUIB-JSGCOSHPSA-N 1 2 357.401 2.369 10 0 FEAELO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070123 543188081 /nfs/dbraw/zinc/18/80/81/543188081.db2.gz AKNRLAWBRWIDAN-ZDUSSCGKSA-N 1 2 360.849 2.064 10 0 FEAELO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070123 543188084 /nfs/dbraw/zinc/18/80/84/543188084.db2.gz AKNRLAWBRWIDAN-ZDUSSCGKSA-N 1 2 360.849 2.064 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000106143135 543207828 /nfs/dbraw/zinc/20/78/28/543207828.db2.gz RWPGVBRWIYUYHM-GOSISDBHSA-N 1 2 363.550 2.188 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000106143135 543207831 /nfs/dbraw/zinc/20/78/31/543207831.db2.gz RWPGVBRWIYUYHM-GOSISDBHSA-N 1 2 363.550 2.188 10 0 FEAELO O=c1[nH]c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)nc2ccc(Cl)cc12 ZINC000106174553 543212756 /nfs/dbraw/zinc/21/27/56/543212756.db2.gz JKWPHRZUDQBAGH-GFCCVEGCSA-N 1 2 358.833 2.080 10 0 FEAELO O=c1[nH]c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)nc2ccc(Cl)cc12 ZINC000106174553 543212758 /nfs/dbraw/zinc/21/27/58/543212758.db2.gz JKWPHRZUDQBAGH-GFCCVEGCSA-N 1 2 358.833 2.080 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)NCCOc1cccc(F)c1)C2 ZINC000106370896 543226293 /nfs/dbraw/zinc/22/62/93/543226293.db2.gz QCIZZFWWBFQPCY-UHFFFAOYSA-N 1 2 374.460 2.236 10 0 FEAELO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000109568332 543327619 /nfs/dbraw/zinc/32/76/19/543327619.db2.gz MWVVSJADKXMWOS-DAXOMENPSA-N 1 2 367.287 2.390 10 0 FEAELO Cc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109657523 543332608 /nfs/dbraw/zinc/33/26/08/543332608.db2.gz SYVKNZNAQBBCJT-UHFFFAOYSA-N 1 2 368.481 2.426 10 0 FEAELO Cc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109657523 543332609 /nfs/dbraw/zinc/33/26/09/543332609.db2.gz SYVKNZNAQBBCJT-UHFFFAOYSA-N 1 2 368.481 2.426 10 0 FEAELO CCCNC(=O)c1cccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000110221188 543352295 /nfs/dbraw/zinc/35/22/95/543352295.db2.gz MMDGNHPFVAWQMD-KRWDZBQOSA-N 1 2 369.469 2.190 10 0 FEAELO CCCNC(=O)c1cccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000110221188 543352297 /nfs/dbraw/zinc/35/22/97/543352297.db2.gz MMDGNHPFVAWQMD-KRWDZBQOSA-N 1 2 369.469 2.190 10 0 FEAELO CCOc1cc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)ccc1OC ZINC000114450697 543516344 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CC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC[N@H+]1CCOC ZINC000117305083 326056185 /nfs/dbraw/zinc/05/61/85/326056185.db2.gz IEXOQIQJLRBNTG-INIZCTEOSA-N 1 2 360.433 2.399 10 0 FEAELO COCCC1(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CCC1 ZINC000119414419 326159566 /nfs/dbraw/zinc/15/95/66/326159566.db2.gz QAJQPZACKRORDD-UHFFFAOYSA-N 1 2 366.531 2.486 10 0 FEAELO COC[C@H](NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000120095885 326229745 /nfs/dbraw/zinc/22/97/45/326229745.db2.gz WBGFIDWSIXTXJB-HOTGVXAUSA-N 1 2 367.515 2.188 10 0 FEAELO Cc1nn(C)c2nc(C)cc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c12 ZINC000120647562 326276002 /nfs/dbraw/zinc/27/60/02/326276002.db2.gz GAVQJRPLYMPVDE-HNNXBMFYSA-N 1 2 351.410 2.274 10 0 FEAELO COc1cc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)cc2c1OCCO2 ZINC000121270611 326326403 /nfs/dbraw/zinc/32/64/03/326326403.db2.gz KYWNJRRUYZJXFL-CYBMUJFWSA-N 1 2 374.441 2.037 10 0 FEAELO Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122189871 326387569 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CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc(C)ccc2C)nc[nH+]1 ZINC000173441798 327257174 /nfs/dbraw/zinc/25/71/74/327257174.db2.gz NWZVRQZYMFZTMX-QGZVFWFLSA-N 1 2 353.470 2.463 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc(C)ccc2C)[nH+]cn1 ZINC000173441798 327257175 /nfs/dbraw/zinc/25/71/75/327257175.db2.gz NWZVRQZYMFZTMX-QGZVFWFLSA-N 1 2 353.470 2.463 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)Oc2cccc(C)c2)nc[nH+]1 ZINC000173443998 327257539 /nfs/dbraw/zinc/25/75/39/327257539.db2.gz BMTTUOGZWLBRRE-HZPDHXFCSA-N 1 2 369.469 2.379 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C)Oc2cccc(C)c2)[nH+]cn1 ZINC000173443998 327257540 /nfs/dbraw/zinc/25/75/40/327257540.db2.gz BMTTUOGZWLBRRE-HZPDHXFCSA-N 1 2 369.469 2.379 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)c2cccc(OC)c2)nc[nH+]1 ZINC000173446974 327257828 /nfs/dbraw/zinc/25/78/28/327257828.db2.gz CTBBOLGQCYYBAZ-GDBMZVCRSA-N 1 2 369.469 2.416 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)c2cccc(OC)c2)[nH+]cn1 ZINC000173446974 327257829 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10 0 FEAELO Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761012 546266319 /nfs/dbraw/zinc/26/63/19/546266319.db2.gz MIBHUZSFZGFTKX-QGZVFWFLSA-N 1 2 353.466 2.327 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cnn(CC4CC4)c3)CC2)s1 ZINC000174458373 546296421 /nfs/dbraw/zinc/29/64/21/546296421.db2.gz QWEHXRFKVXJEQX-UHFFFAOYSA-N 1 2 360.487 2.408 10 0 FEAELO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000176319920 546431895 /nfs/dbraw/zinc/43/18/95/546431895.db2.gz LPSJNDFMKJGIEN-GOEBONIOSA-N 1 2 358.417 2.416 10 0 FEAELO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000176319920 546431897 /nfs/dbraw/zinc/43/18/97/546431897.db2.gz LPSJNDFMKJGIEN-GOEBONIOSA-N 1 2 358.417 2.416 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000176908506 546506014 /nfs/dbraw/zinc/50/60/14/546506014.db2.gz BUNSVEBTIKDRPQ-GFCCVEGCSA-N 1 2 369.874 2.349 10 0 FEAELO Cc1nnc([C@@H]2CN(C(=O)Nc3cccc(-c4[nH+]ccn4C)c3)CCO2)[nH]1 ZINC000177081000 546541041 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CCc1nn(C)cc1C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000180361975 547092541 /nfs/dbraw/zinc/09/25/41/547092541.db2.gz MFNNNTCILRYPDM-CZUORRHYSA-N 1 2 362.499 2.236 10 0 FEAELO COC1(CNC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)CCC1 ZINC000181630617 547347778 /nfs/dbraw/zinc/34/77/78/547347778.db2.gz UBUVKBQMBDCDRJ-OAHLLOKOSA-N 1 2 367.515 2.298 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C(C)(C)C)nc2C)nc[nH+]1 ZINC000183381794 547648219 /nfs/dbraw/zinc/64/82/19/547648219.db2.gz OJHGNZIZHJRAMS-CQSZACIVSA-N 1 2 371.489 2.177 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C(C)(C)C)nc2C)[nH+]cn1 ZINC000183381794 547648222 /nfs/dbraw/zinc/64/82/22/547648222.db2.gz OJHGNZIZHJRAMS-CQSZACIVSA-N 1 2 371.489 2.177 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ncccc2C)nc[nH+]1 ZINC000183813532 547723598 /nfs/dbraw/zinc/72/35/98/547723598.db2.gz VXKNYMVLKDZJRF-MVGZEHJDSA-N 1 2 352.442 2.020 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ncccc2C)[nH+]cn1 ZINC000183813532 547723599 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COc1cc(C)c(Br)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000184600270 547852306 /nfs/dbraw/zinc/85/23/06/547852306.db2.gz VXRBFLGISUOENW-NSHDSACASA-N 1 2 372.263 2.218 10 0 FEAELO c1[nH]nc(-c2cccnc2)c1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000185762409 548031753 /nfs/dbraw/zinc/03/17/53/548031753.db2.gz JOUDNIMXYQOPSN-UHFFFAOYSA-N 1 2 361.409 2.459 10 0 FEAELO C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000187033951 548246016 /nfs/dbraw/zinc/24/60/16/548246016.db2.gz MRFFCFLROMLJNM-XLIONFOSSA-N 1 2 368.477 2.316 10 0 FEAELO C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000187033951 548246021 /nfs/dbraw/zinc/24/60/21/548246021.db2.gz MRFFCFLROMLJNM-XLIONFOSSA-N 1 2 368.477 2.316 10 0 FEAELO C[C@H]1C(=O)NCCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000188086188 548270028 /nfs/dbraw/zinc/27/00/28/548270028.db2.gz AJNOOLIFFJBIFR-SFHVURJKSA-N 1 2 365.477 2.426 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000194618315 548506796 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COc1ccc(Cl)cc1C[NH+]1CCN(Cc2nnnn2C(C)C)CC1 ZINC000195064807 548571045 /nfs/dbraw/zinc/57/10/45/548571045.db2.gz KHFNPKNTZFFIFO-UHFFFAOYSA-N 1 2 364.881 2.234 10 0 FEAELO CCn1c(=O)c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2[nH]c1=S ZINC000195069399 548572225 /nfs/dbraw/zinc/57/22/25/548572225.db2.gz RJSSBGMKUDYVAJ-AWEZNQCLSA-N 1 2 372.494 2.015 10 0 FEAELO CCn1c(=O)c2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2[nH]c1=S ZINC000195069399 548572229 /nfs/dbraw/zinc/57/22/29/548572229.db2.gz RJSSBGMKUDYVAJ-AWEZNQCLSA-N 1 2 372.494 2.015 10 0 FEAELO CCc1nnc(C[NH+]2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C ZINC000195080224 548573620 /nfs/dbraw/zinc/57/36/20/548573620.db2.gz HXQPUFAFUFZEBF-UHFFFAOYSA-N 1 2 373.476 2.353 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C1 ZINC000245202219 548901002 /nfs/dbraw/zinc/90/10/02/548901002.db2.gz XLVBRKUJFKTIIC-KZNAEPCWSA-N 1 2 367.534 2.079 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C1 ZINC000245202219 548901004 /nfs/dbraw/zinc/90/10/04/548901004.db2.gz XLVBRKUJFKTIIC-KZNAEPCWSA-N 1 2 367.534 2.079 10 0 FEAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000245852492 549003735 /nfs/dbraw/zinc/00/37/35/549003735.db2.gz CWAQTYGHBAVDCP-NEWSRXKRSA-N 1 2 361.530 2.358 10 0 FEAELO COc1cc(-c2noc(CN3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2)ccc1C ZINC000245968442 549029505 /nfs/dbraw/zinc/02/95/05/549029505.db2.gz VAVWIZYBSRZMEW-RDJZCZTQSA-N 1 2 372.469 2.206 10 0 FEAELO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2O)CC[N@@H+]1C[C@H](C)O ZINC000246094847 549050827 /nfs/dbraw/zinc/05/08/27/549050827.db2.gz IWHSHAVMEPEZRQ-WCQYABFASA-N 1 2 371.275 2.072 10 0 FEAELO CC[C@@H]1CN(C(=O)c2ccc(Br)cc2O)CC[N@H+]1C[C@H](C)O ZINC000246094847 549050830 /nfs/dbraw/zinc/05/08/30/549050830.db2.gz IWHSHAVMEPEZRQ-WCQYABFASA-N 1 2 371.275 2.072 10 0 FEAELO CSc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246318365 549104960 /nfs/dbraw/zinc/10/49/60/549104960.db2.gz CVWIPBVQWOZRNV-HLLBOEOZSA-N 1 2 363.527 2.388 10 0 FEAELO Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246364527 549115350 /nfs/dbraw/zinc/11/53/50/549115350.db2.gz GYRNCUWUZNWGGW-DYVFJYSZSA-N 1 2 351.878 2.239 10 0 FEAELO CC(C)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000246504756 549149050 /nfs/dbraw/zinc/14/90/50/549149050.db2.gz NKGUZBUVQJGZLD-CRAIPNDOSA-N 1 2 352.500 2.151 10 0 FEAELO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)=N1 ZINC000246526003 549153437 /nfs/dbraw/zinc/15/34/37/549153437.db2.gz RQRCQKLWPZYRHY-HIFRSBDPSA-N 1 2 358.417 2.334 10 0 FEAELO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)=N1 ZINC000246526003 549153440 /nfs/dbraw/zinc/15/34/40/549153440.db2.gz RQRCQKLWPZYRHY-HIFRSBDPSA-N 1 2 358.417 2.334 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000246628311 549177405 /nfs/dbraw/zinc/17/74/05/549177405.db2.gz ZEPIGSMPIWNDDA-MLGOLLRUSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1N1CCOCC1 ZINC000246628311 549177409 /nfs/dbraw/zinc/17/74/09/549177409.db2.gz ZEPIGSMPIWNDDA-MLGOLLRUSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1N1CCOCC1 ZINC000246628311 549177411 /nfs/dbraw/zinc/17/74/11/549177411.db2.gz ZEPIGSMPIWNDDA-MLGOLLRUSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2ccc(N(C)C)nc2)c2cccs2)CCO1 ZINC000246819432 549220403 /nfs/dbraw/zinc/22/04/03/549220403.db2.gz KOEQQQRGBJCBKX-GOEBONIOSA-N 1 2 374.510 2.401 10 0 FEAELO C[C@H]1C[N@H+]([C@H](CNC(=O)c2ccc(N(C)C)nc2)c2cccs2)CCO1 ZINC000246819432 549220405 /nfs/dbraw/zinc/22/04/05/549220405.db2.gz KOEQQQRGBJCBKX-GOEBONIOSA-N 1 2 374.510 2.401 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CSc3ccccc32)nc[nH+]1 ZINC000247029463 549269105 /nfs/dbraw/zinc/26/91/05/549269105.db2.gz WYOHPGAWGDHNDC-ZFWWWQNUSA-N 1 2 369.494 2.493 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CSc3ccccc32)[nH+]cn1 ZINC000247029463 549269111 /nfs/dbraw/zinc/26/91/11/549269111.db2.gz 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O=S(=O)(c1ccc(Br)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249744129 549623130 /nfs/dbraw/zinc/62/31/30/549623130.db2.gz BHWCYCDBZDCTOU-ZDUSSCGKSA-N 1 2 359.289 2.308 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2cccc3n[nH]nc32)c2cccs2)CCO1 ZINC000249764756 549626699 /nfs/dbraw/zinc/62/66/99/549626699.db2.gz IEFGHKHCZOCAIM-IUODEOHRSA-N 1 2 371.466 2.211 10 0 FEAELO C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Oc1cccc(Br)c1 ZINC000262903061 549861018 /nfs/dbraw/zinc/86/10/18/549861018.db2.gz DWBJFOLKEIQIAC-JOYOIKCWSA-N 1 2 363.202 2.330 10 0 FEAELO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000263532667 549907882 /nfs/dbraw/zinc/90/78/82/549907882.db2.gz XLJKQPDUNFNAQZ-UHFFFAOYSA-N 1 2 354.454 2.290 10 0 FEAELO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000263532667 549907885 /nfs/dbraw/zinc/90/78/85/549907885.db2.gz XLJKQPDUNFNAQZ-UHFFFAOYSA-N 1 2 354.454 2.290 10 0 FEAELO O=S1(=O)N=C(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000301250356 553635522 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CC(=O)N[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000097079136 543003571 /nfs/dbraw/zinc/00/35/71/543003571.db2.gz BGJSMAJFQRIYGM-HNNXBMFYSA-N 1 2 358.467 2.010 10 0 FEAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000097079136 543003575 /nfs/dbraw/zinc/00/35/75/543003575.db2.gz BGJSMAJFQRIYGM-HNNXBMFYSA-N 1 2 358.467 2.010 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000101565303 543034099 /nfs/dbraw/zinc/03/40/99/543034099.db2.gz NLLWKZQUUPAKQG-QGZVFWFLSA-N 1 2 365.905 2.379 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000101565303 543034102 /nfs/dbraw/zinc/03/41/02/543034102.db2.gz NLLWKZQUUPAKQG-QGZVFWFLSA-N 1 2 365.905 2.379 10 0 FEAELO C[C@@H](CNC(=O)N(Cc1ccc(F)cc1F)C1CC1)[NH+]1CCOCC1 ZINC000103304960 543101952 /nfs/dbraw/zinc/10/19/52/543101952.db2.gz KLZKQSDKZYFYRG-ZDUSSCGKSA-N 1 2 353.413 2.360 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC000105278857 543168762 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FEAELO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106083579 543192221 /nfs/dbraw/zinc/19/22/21/543192221.db2.gz RPBWUAYZIFBIBM-HNNXBMFYSA-N 1 2 364.457 2.114 10 0 FEAELO CN(c1cccnn1)C1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000106084556 543192957 /nfs/dbraw/zinc/19/29/57/543192957.db2.gz UNOOQMJVDDPLFI-UHFFFAOYSA-N 1 2 372.473 2.301 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)NCc3ccccc3C)CC2)s1 ZINC000106090937 543194680 /nfs/dbraw/zinc/19/46/80/543194680.db2.gz ZGUIUMYHTMMKLB-UHFFFAOYSA-N 1 2 358.511 2.194 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)n1 ZINC000106132294 543206409 /nfs/dbraw/zinc/20/64/09/543206409.db2.gz VSYCFYOKIQQSDY-IAQYHMDHSA-N 1 2 352.385 2.068 10 0 FEAELO CCN(C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nc(C)no2)CC1)c1ccccc1 ZINC000106133840 543206645 /nfs/dbraw/zinc/20/66/45/543206645.db2.gz DUMFXGWPOBADLS-HZPDHXFCSA-N 1 2 371.485 2.498 10 0 FEAELO O=S(=O)(c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1)C(F)F ZINC000106174236 543212831 /nfs/dbraw/zinc/21/28/31/543212831.db2.gz BWKNJKHRPJNTQQ-AWEZNQCLSA-N 1 2 370.425 2.187 10 0 FEAELO O=S(=O)(c1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1)C(F)F ZINC000106174236 543212832 /nfs/dbraw/zinc/21/28/32/543212832.db2.gz BWKNJKHRPJNTQQ-AWEZNQCLSA-N 1 2 370.425 2.187 10 0 FEAELO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)Nc3cccnc3Cl)C2)n1 ZINC000106180595 543214366 /nfs/dbraw/zinc/21/43/66/543214366.db2.gz JZJMFXBTFMIYSJ-AWEZNQCLSA-N 1 2 362.865 2.294 10 0 FEAELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)n1 ZINC000106180595 543214370 /nfs/dbraw/zinc/21/43/70/543214370.db2.gz JZJMFXBTFMIYSJ-AWEZNQCLSA-N 1 2 362.865 2.294 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000106181942 543214467 /nfs/dbraw/zinc/21/44/67/543214467.db2.gz XCDRLMBSYYUMQS-KRWDZBQOSA-N 1 2 369.469 2.448 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000106181942 543214470 /nfs/dbraw/zinc/21/44/70/543214470.db2.gz XCDRLMBSYYUMQS-KRWDZBQOSA-N 1 2 369.469 2.448 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106181137 543214600 /nfs/dbraw/zinc/21/46/00/543214600.db2.gz MXPCYSBHDCLOFM-KRWDZBQOSA-N 1 2 369.469 2.448 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106181137 543214601 /nfs/dbraw/zinc/21/46/01/543214601.db2.gz MXPCYSBHDCLOFM-KRWDZBQOSA-N 1 2 369.469 2.448 10 0 FEAELO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000106189155 543215221 /nfs/dbraw/zinc/21/52/21/543215221.db2.gz IXFFKYXZGCCGQK-IBGZPJMESA-N 1 2 356.470 2.170 10 0 FEAELO CC(C)CNC(=O)c1cccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)c1 ZINC000106189155 543215225 /nfs/dbraw/zinc/21/52/25/543215225.db2.gz IXFFKYXZGCCGQK-IBGZPJMESA-N 1 2 356.470 2.170 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](n4cncn4)C3)sc2c1 ZINC000106218684 543219230 /nfs/dbraw/zinc/21/92/30/543219230.db2.gz ZZVXGYRBRJRTLB-CYBMUJFWSA-N 1 2 356.455 2.472 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](n4cncn4)C3)sc2c1 ZINC000106218684 543219232 /nfs/dbraw/zinc/21/92/32/543219232.db2.gz ZZVXGYRBRJRTLB-CYBMUJFWSA-N 1 2 356.455 2.472 10 0 FEAELO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000156328139 545617973 /nfs/dbraw/zinc/61/79/73/545617973.db2.gz BRIMRWGYDQJQJE-DGCLKSJQSA-N 1 2 373.266 2.214 10 0 FEAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000108365818 543287659 /nfs/dbraw/zinc/28/76/59/543287659.db2.gz HQSUMRSBIAZROW-WBVHZDCISA-N 1 2 373.478 2.234 10 0 FEAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000108365818 543287660 /nfs/dbraw/zinc/28/76/60/543287660.db2.gz HQSUMRSBIAZROW-WBVHZDCISA-N 1 2 373.478 2.234 10 0 FEAELO CCc1c(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)[nH]c(C)c1C(C)=O ZINC000109659012 543332667 /nfs/dbraw/zinc/33/26/67/543332667.db2.gz PDUFYPYKWRIQNJ-UHFFFAOYSA-N 1 2 371.485 2.170 10 0 FEAELO CCc1c(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)[nH]c(C)c1C(C)=O ZINC000109659012 543332670 /nfs/dbraw/zinc/33/26/70/543332670.db2.gz PDUFYPYKWRIQNJ-UHFFFAOYSA-N 1 2 371.485 2.170 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCCCOCCc2ccccc2)[nH+]cn1 ZINC000110249970 543352727 /nfs/dbraw/zinc/35/27/27/543352727.db2.gz DEMJHCPXXPSRGT-GOSISDBHSA-N 1 2 356.470 2.499 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCCCOCCc2ccccc2)nc[nH+]1 ZINC000110249970 543352728 /nfs/dbraw/zinc/35/27/28/543352728.db2.gz DEMJHCPXXPSRGT-GOSISDBHSA-N 1 2 356.470 2.499 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)NCc3cccc(C)c3)CC2)s1 ZINC000111227598 543386861 /nfs/dbraw/zinc/38/68/61/543386861.db2.gz POZFQPAOWSJINP-UHFFFAOYSA-N 1 2 358.511 2.194 10 0 FEAELO C[C@H](CNC(=O)[C@H](C)Oc1ccccc1Br)[NH+]1CCOCC1 ZINC000112273061 543437278 /nfs/dbraw/zinc/43/72/78/543437278.db2.gz TXVRZWMYTKKKLI-OLZOCXBDSA-N 1 2 371.275 2.053 10 0 FEAELO C[C@H](CNC(=O)N1CCc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000112438757 543447094 /nfs/dbraw/zinc/44/70/94/543447094.db2.gz CIIVDOYOHLWIHS-GFCCVEGCSA-N 1 2 368.275 2.242 10 0 FEAELO CCC[C@@H](C)CS(=O)(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000113292926 543482638 /nfs/dbraw/zinc/48/26/38/543482638.db2.gz BGCVYSBSGMAODD-MRXNPFEDSA-N 1 2 356.536 2.177 10 0 FEAELO CCC[C@@H](C)CS(=O)(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000113292926 543482639 /nfs/dbraw/zinc/48/26/39/543482639.db2.gz BGCVYSBSGMAODD-MRXNPFEDSA-N 1 2 356.536 2.177 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000115389536 543564184 /nfs/dbraw/zinc/56/41/84/543564184.db2.gz QFTKNCYWPOKTRT-MRXNPFEDSA-N 1 2 374.460 2.288 10 0 FEAELO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000117246316 543624726 /nfs/dbraw/zinc/62/47/26/543624726.db2.gz ZRPBYUGPRKMSAM-ZBFHGGJFSA-N 1 2 369.303 2.465 10 0 FEAELO CC[C@H](Cc1cccc(Br)c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000117246316 543624732 /nfs/dbraw/zinc/62/47/32/543624732.db2.gz ZRPBYUGPRKMSAM-ZBFHGGJFSA-N 1 2 369.303 2.465 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1C ZINC000117369130 543630593 /nfs/dbraw/zinc/63/05/93/543630593.db2.gz YLJJWDYLBJDFIT-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)C[C@@H]1C ZINC000117369130 543630594 /nfs/dbraw/zinc/63/05/94/543630594.db2.gz YLJJWDYLBJDFIT-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO C[C@H](CNC(=O)c1csc(Cc2ccccc2F)n1)[NH+]1CCOCC1 ZINC000117753661 543639537 /nfs/dbraw/zinc/63/95/37/543639537.db2.gz NBTPENOKZWGCJW-CYBMUJFWSA-N 1 2 363.458 2.324 10 0 FEAELO CCC[C@](C)(CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000123013991 543737223 /nfs/dbraw/zinc/73/72/23/543737223.db2.gz DJVKVHNMRQHFBH-IIDMSEBBSA-N 1 2 369.531 2.360 10 0 FEAELO CCC[C@](C)(CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000123013991 543737227 /nfs/dbraw/zinc/73/72/27/543737227.db2.gz DJVKVHNMRQHFBH-IIDMSEBBSA-N 1 2 369.531 2.360 10 0 FEAELO COc1cccc(C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000127449756 543993761 /nfs/dbraw/zinc/99/37/61/543993761.db2.gz WNHWUHUVFFCMOX-QGZVFWFLSA-N 1 2 361.486 2.089 10 0 FEAELO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000134004465 544291359 /nfs/dbraw/zinc/29/13/59/544291359.db2.gz LFTICBHREBGFSR-HIFRSBDPSA-N 1 2 369.303 2.465 10 0 FEAELO CC[C@H](Cc1ccccc1Br)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000134004465 544291362 /nfs/dbraw/zinc/29/13/62/544291362.db2.gz LFTICBHREBGFSR-HIFRSBDPSA-N 1 2 369.303 2.465 10 0 FEAELO CC(C)Cn1ncc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1C(F)F ZINC000136090110 544366281 /nfs/dbraw/zinc/36/62/81/544366281.db2.gz CTCOIYDVVBASLV-CYBMUJFWSA-N 1 2 356.417 2.023 10 0 FEAELO CCOC(=O)C[C@H]1C[NH+](Cc2ccccc2)C[C@H](CC(=O)OCC)N1C ZINC000145788087 544435718 /nfs/dbraw/zinc/43/57/18/544435718.db2.gz PAVTYZPJUAQLOD-ROUUACIJSA-N 1 2 362.470 2.078 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000151069870 544501775 /nfs/dbraw/zinc/50/17/75/544501775.db2.gz CRUJSBFCEHPFBG-HNNXBMFYSA-N 1 2 371.441 2.141 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Sc2ccccn2)nc[nH+]1 ZINC000152459378 544656311 /nfs/dbraw/zinc/65/63/11/544656311.db2.gz BPVGAMVAPNOISM-UONOGXRCSA-N 1 2 372.498 2.179 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Sc2ccccn2)[nH+]cn1 ZINC000152459378 544656315 /nfs/dbraw/zinc/65/63/15/544656315.db2.gz BPVGAMVAPNOISM-UONOGXRCSA-N 1 2 372.498 2.179 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCC(C)C)CC2)cn1 ZINC000153273593 544754905 /nfs/dbraw/zinc/75/49/05/544754905.db2.gz OSVZLHGADAHFLT-UHFFFAOYSA-N 1 2 356.536 2.177 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)CCC(C)C)CC2)cn1 ZINC000153273593 544754907 /nfs/dbraw/zinc/75/49/07/544754907.db2.gz OSVZLHGADAHFLT-UHFFFAOYSA-N 1 2 356.536 2.177 10 0 FEAELO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000153743514 544816128 /nfs/dbraw/zinc/81/61/28/544816128.db2.gz HWKFPZCJXSTXEK-HNNXBMFYSA-N 1 2 353.260 2.485 10 0 FEAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000153743514 544816130 /nfs/dbraw/zinc/81/61/30/544816130.db2.gz HWKFPZCJXSTXEK-HNNXBMFYSA-N 1 2 353.260 2.485 10 0 FEAELO CCCCCNC(=O)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000155166725 544997829 /nfs/dbraw/zinc/99/78/29/544997829.db2.gz MEWVNLPIKRPQRK-MRXNPFEDSA-N 1 2 353.532 2.360 10 0 FEAELO CCCCCNC(=O)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000155166725 544997831 /nfs/dbraw/zinc/99/78/31/544997831.db2.gz MEWVNLPIKRPQRK-MRXNPFEDSA-N 1 2 353.532 2.360 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCOCC2)[NH+]2CCOCC2)s1 ZINC000181689826 327742072 /nfs/dbraw/zinc/74/20/72/327742072.db2.gz KPFTWZJXMYRSTA-HZPDHXFCSA-N 1 2 367.515 2.298 10 0 FEAELO C[C@@H](CNC(=O)N1CC[C@@H](c2c(F)cccc2F)C1)[NH+]1CCOCC1 ZINC000184397150 327865702 /nfs/dbraw/zinc/86/57/02/327865702.db2.gz UZBVFQVRXKJTJK-UONOGXRCSA-N 1 2 353.413 2.184 10 0 FEAELO O=C(NC1C[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1)C1CCC1 ZINC000185937520 327940000 /nfs/dbraw/zinc/94/00/00/327940000.db2.gz OWKIPJSQIGFYTK-INIZCTEOSA-N 1 2 356.388 2.209 10 0 FEAELO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187563203 328033592 /nfs/dbraw/zinc/03/35/92/328033592.db2.gz CIQWDEDZOSXDKA-HOTGVXAUSA-N 1 2 354.435 2.177 10 0 FEAELO Cc1c(Br)cccc1CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000188467801 328088807 /nfs/dbraw/zinc/08/88/07/328088807.db2.gz MAFNCWDIRGBGPF-LBPRGKRZSA-N 1 2 355.276 2.137 10 0 FEAELO C[C@H](NC(=O)N(C)CC1(O)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189043400 328125469 /nfs/dbraw/zinc/12/54/69/328125469.db2.gz JUKQFKKPBVMXDY-HNNXBMFYSA-N 1 2 358.442 2.116 10 0 FEAELO FC(F)COCC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000189190315 328134022 /nfs/dbraw/zinc/13/40/22/328134022.db2.gz WTGACLDCOIRNQY-UHFFFAOYSA-N 1 2 350.413 2.272 10 0 FEAELO FC(F)COCCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000189190315 328134023 /nfs/dbraw/zinc/13/40/23/328134023.db2.gz WTGACLDCOIRNQY-UHFFFAOYSA-N 1 2 350.413 2.272 10 0 FEAELO CO[C@@H](C)[C@H](C)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000190236539 328196119 /nfs/dbraw/zinc/19/61/19/328196119.db2.gz CGLAJUFMRKHAJA-SOUVJXGZSA-N 1 2 355.504 2.152 10 0 FEAELO Cc1cc(C)nc(-n2nccc2NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000190362235 328203104 /nfs/dbraw/zinc/20/31/04/328203104.db2.gz GYCALYNYBBPZFV-OAHLLOKOSA-N 1 2 366.429 2.172 10 0 FEAELO CCc1nnc(C[N@@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)o1 ZINC000190514671 328213276 /nfs/dbraw/zinc/21/32/76/328213276.db2.gz BASTUFBJZQRPCQ-AWEZNQCLSA-N 1 2 352.479 2.260 10 0 FEAELO CCc1nnc(C[N@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)o1 ZINC000190514671 328213277 /nfs/dbraw/zinc/21/32/77/328213277.db2.gz BASTUFBJZQRPCQ-AWEZNQCLSA-N 1 2 352.479 2.260 10 0 FEAELO CC(=O)NC1C[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000191728890 328278966 /nfs/dbraw/zinc/27/89/66/328278966.db2.gz AOIRDZMIZFWPDC-UNMCSNQZSA-N 1 2 368.477 2.282 10 0 FEAELO CS(=O)(=O)N(CC[NH+]1CCC(c2ccn[nH]2)CC1)Cc1ccccc1 ZINC000191978771 328291363 /nfs/dbraw/zinc/29/13/63/328291363.db2.gz VAXQLUHLCPTHST-UHFFFAOYSA-N 1 2 362.499 2.051 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)Nc2cnns2)c2cccs2)CCO1 ZINC000192364639 328315550 /nfs/dbraw/zinc/31/55/50/328315550.db2.gz VHEWGXKBXDOXSI-QWRGUYRKSA-N 1 2 353.473 2.183 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)Nc2cnns2)c2cccs2)CCO1 ZINC000192364639 328315552 /nfs/dbraw/zinc/31/55/52/328315552.db2.gz VHEWGXKBXDOXSI-QWRGUYRKSA-N 1 2 353.473 2.183 10 0 FEAELO C[C@H](CNC(=O)N[C@@H]1CCOc2c(Cl)cccc21)[NH+]1CCOCC1 ZINC000056805541 324812613 /nfs/dbraw/zinc/81/26/13/324812613.db2.gz AGSSTOPKXUQJPN-IUODEOHRSA-N 1 2 353.850 2.184 10 0 FEAELO C[C@H](NC(=O)N1CCC2(CC1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471132 324945890 /nfs/dbraw/zinc/94/58/90/324945890.db2.gz YYYZZZAGHAGRHU-HNNXBMFYSA-N 1 2 356.426 2.482 10 0 FEAELO O=C(NCCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)C(F)(F)F ZINC000091553181 325387007 /nfs/dbraw/zinc/38/70/07/325387007.db2.gz UBQFSLZXOYHRAP-LBPRGKRZSA-N 1 2 359.396 2.210 10 0 FEAELO O=C(NCCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)C(F)(F)F ZINC000091553181 325387010 /nfs/dbraw/zinc/38/70/10/325387010.db2.gz UBQFSLZXOYHRAP-LBPRGKRZSA-N 1 2 359.396 2.210 10 0 FEAELO O=C(Cc1cn2ccccc2[nH+]1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091760393 325392612 /nfs/dbraw/zinc/39/26/12/325392612.db2.gz HLIHSEOXZBGIEQ-YOEHRIQHSA-N 1 2 357.360 2.490 10 0 FEAELO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081384 325577606 /nfs/dbraw/zinc/57/76/06/325577606.db2.gz MSRKOQMVKRNTRF-AWEZNQCLSA-N 1 2 357.462 2.158 10 0 FEAELO CCN(C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1)c1ccccc1 ZINC000106133835 325585106 /nfs/dbraw/zinc/58/51/06/325585106.db2.gz DUMFXGWPOBADLS-JKSUJKDBSA-N 1 2 371.485 2.498 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)C[C@H]1CC ZINC000116899196 326040936 /nfs/dbraw/zinc/04/09/36/326040936.db2.gz JUYMKLRXIVKKAZ-QGZVFWFLSA-N 1 2 368.499 2.011 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)C[C@H]1CC ZINC000116899196 326040939 /nfs/dbraw/zinc/04/09/39/326040939.db2.gz JUYMKLRXIVKKAZ-QGZVFWFLSA-N 1 2 368.499 2.011 10 0 FEAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120756381 326285515 /nfs/dbraw/zinc/28/55/15/326285515.db2.gz GLQMEVWZBPMQTQ-GJZGRUSLSA-N 1 2 371.489 2.073 10 0 FEAELO CC(C)N1CCO[C@H](C[NH+]2CCN(Cc3cc(F)c(F)cc3F)CC2)C1 ZINC000121069129 326311117 /nfs/dbraw/zinc/31/11/17/326311117.db2.gz JCOKYUYVBBZUQB-MRXNPFEDSA-N 1 2 371.447 2.331 10 0 FEAELO COCCOc1ccccc1C[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000121321253 326329340 /nfs/dbraw/zinc/32/93/40/326329340.db2.gz QTOPWMIXRGASKL-OAHLLOKOSA-N 1 2 360.458 2.282 10 0 FEAELO O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154116344 326751765 /nfs/dbraw/zinc/75/17/65/326751765.db2.gz NBVWABSKHMAYGR-HXUWFJFHSA-N 1 2 368.477 2.018 10 0 FEAELO O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000157951334 326880572 /nfs/dbraw/zinc/88/05/72/326880572.db2.gz HSZJWTOSHHLFON-QGZVFWFLSA-N 1 2 373.432 2.009 10 0 FEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000163245782 327047132 /nfs/dbraw/zinc/04/71/32/327047132.db2.gz GJRPWUDAOMSZPS-JXFKEZNVSA-N 1 2 358.486 2.387 10 0 FEAELO C[C@H](NC(=O)Nc1ccc(C(N)=O)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000164177280 327065670 /nfs/dbraw/zinc/06/56/70/327065670.db2.gz XERGNUGPKCYNNA-LBPRGKRZSA-N 1 2 350.382 2.249 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000170923618 327107454 /nfs/dbraw/zinc/10/74/54/327107454.db2.gz JTALSRSNKHRACQ-QGZVFWFLSA-N 1 2 356.426 2.004 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000170923618 327107455 /nfs/dbraw/zinc/10/74/55/327107455.db2.gz JTALSRSNKHRACQ-QGZVFWFLSA-N 1 2 356.426 2.004 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)n1 ZINC000170942612 327109113 /nfs/dbraw/zinc/10/91/13/327109113.db2.gz RQBUTMLGKNOJNB-CRAIPNDOSA-N 1 2 371.485 2.140 10 0 FEAELO C[C@H]([NH2+]Cc1nc(-c2cccs2)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000171110272 327118897 /nfs/dbraw/zinc/11/88/97/327118897.db2.gz KNVHMRGNOCIVTB-JTQLQIEISA-N 1 2 364.452 2.296 10 0 FEAELO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000171514397 327143459 /nfs/dbraw/zinc/14/34/59/327143459.db2.gz QRWKDOBHTMDGTO-WMZOPIPTSA-N 1 2 356.470 2.482 10 0 FEAELO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000171514397 327143460 /nfs/dbraw/zinc/14/34/60/327143460.db2.gz QRWKDOBHTMDGTO-WMZOPIPTSA-N 1 2 356.470 2.482 10 0 FEAELO O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171814323 327163270 /nfs/dbraw/zinc/16/32/70/327163270.db2.gz FSNMVJKIIYAXCH-IBGZPJMESA-N 1 2 350.422 2.054 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4nccn4c3)CC2)cn1 ZINC000171929915 327171015 /nfs/dbraw/zinc/17/10/15/327171015.db2.gz LQMKSERHCSOTGF-UHFFFAOYSA-N 1 2 366.469 2.289 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4nccn4c3)CC2)cn1 ZINC000171929915 327171016 /nfs/dbraw/zinc/17/10/16/327171016.db2.gz LQMKSERHCSOTGF-UHFFFAOYSA-N 1 2 366.469 2.289 10 0 FEAELO CC[C@H](C)[C@H](C)NC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000172330633 327196123 /nfs/dbraw/zinc/19/61/23/327196123.db2.gz WZHDZGOHYLNUMP-BZSNNMDCSA-N 1 2 363.502 2.188 10 0 FEAELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000172553076 327208062 /nfs/dbraw/zinc/20/80/62/327208062.db2.gz RCBXAXNSANHPSQ-HOTGVXAUSA-N 1 2 365.905 2.093 10 0 FEAELO Cc1oc(-c2cccs2)nc1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172766876 327217810 /nfs/dbraw/zinc/21/78/10/327217810.db2.gz GLEZIJMPHWRFGV-AWEZNQCLSA-N 1 2 361.467 2.187 10 0 FEAELO COc1cccc(O[C@H](C)CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000172776570 327218335 /nfs/dbraw/zinc/21/83/35/327218335.db2.gz MBCQQSUWYABIGB-HUUCEWRRSA-N 1 2 358.442 2.326 10 0 FEAELO COc1cccc(O[C@H](C)CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000172776570 327218336 /nfs/dbraw/zinc/21/83/36/327218336.db2.gz MBCQQSUWYABIGB-HUUCEWRRSA-N 1 2 358.442 2.326 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cn2ccc3ccccc32)nc[nH+]1 ZINC000173427112 327255927 /nfs/dbraw/zinc/25/59/27/327255927.db2.gz ATLRFLYSMHJUHJ-INIZCTEOSA-N 1 2 364.453 2.258 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cn2ccc3ccccc32)[nH+]cn1 ZINC000173427112 327255929 /nfs/dbraw/zinc/25/59/29/327255929.db2.gz ATLRFLYSMHJUHJ-INIZCTEOSA-N 1 2 364.453 2.258 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)CCSC)nc[nH+]1 ZINC000173428094 327256062 /nfs/dbraw/zinc/25/60/62/327256062.db2.gz AYBLOSXEOUQKRO-KBPBESRZSA-N 1 2 366.535 2.270 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)CCSC)[nH+]cn1 ZINC000173428094 327256064 /nfs/dbraw/zinc/25/60/64/327256064.db2.gz AYBLOSXEOUQKRO-KBPBESRZSA-N 1 2 366.535 2.270 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3cccc(F)c3)CC2)nc[nH+]1 ZINC000173433438 327256714 /nfs/dbraw/zinc/25/67/14/327256714.db2.gz CZOUQHSIJIZJTL-INIZCTEOSA-N 1 2 369.444 2.474 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3cccc(F)c3)CC2)[nH+]cn1 ZINC000173433438 327256715 /nfs/dbraw/zinc/25/67/15/327256715.db2.gz CZOUQHSIJIZJTL-INIZCTEOSA-N 1 2 369.444 2.474 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NCc2ccccn2)[NH+]2CCOCC2)s1 ZINC000173645628 327273274 /nfs/dbraw/zinc/27/32/74/327273274.db2.gz OAHZCBNAMPQGIS-INIZCTEOSA-N 1 2 360.483 2.324 10 0 FEAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(OC(F)F)c1 ZINC000173777472 327283586 /nfs/dbraw/zinc/28/35/86/327283586.db2.gz OVWHLZDCGNEQIO-UKRRQHHQSA-N 1 2 369.412 2.465 10 0 FEAELO CCCCCc1nnc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000173778257 327283654 /nfs/dbraw/zinc/28/36/54/327283654.db2.gz GQBSPBLWIYKSNY-ZDUSSCGKSA-N 1 2 353.492 2.209 10 0 FEAELO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)oc2ccc(F)cc12 ZINC000173793190 327284288 /nfs/dbraw/zinc/28/42/88/327284288.db2.gz QIBSWMQGPDHAAL-HNNXBMFYSA-N 1 2 361.417 2.496 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000173868864 327290256 /nfs/dbraw/zinc/29/02/56/327290256.db2.gz WPKLFLDYQCHLGL-BQUDOFGOSA-N 1 2 350.409 2.247 10 0 FEAELO Cc1nc(-c2ccco2)ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173889132 327291755 /nfs/dbraw/zinc/29/17/55/327291755.db2.gz QWELYFFFUXSTNP-KSSFIOAISA-N 1 2 355.438 2.443 10 0 FEAELO O=C(N[C@H](c1nccs1)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173908478 327293621 /nfs/dbraw/zinc/29/36/21/327293621.db2.gz QYIQOJNQCMBTBP-IRXDYDNUSA-N 1 2 372.494 2.349 10 0 FEAELO C[C@H](NC(=O)[C@H](C)Sc1nncn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930189 327295144 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370.497 2.467 10 0 FEAELO CC[C@H](O)C[NH+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000106395687 543227551 /nfs/dbraw/zinc/22/75/51/543227551.db2.gz FGFDCWDOPJJYKF-FQEVSTJZSA-N 1 2 372.509 2.443 10 0 FEAELO C[N@@H+]1CCO[C@H](CNc2ncc(C(=O)N3CCCCC3)cc2Cl)C1 ZINC000108945700 543309130 /nfs/dbraw/zinc/30/91/30/543309130.db2.gz JQKJNTGMBKSLKH-CQSZACIVSA-N 1 2 352.866 2.104 10 0 FEAELO C[N@H+]1CCO[C@H](CNc2ncc(C(=O)N3CCCCC3)cc2Cl)C1 ZINC000108945700 543309133 /nfs/dbraw/zinc/30/91/33/543309133.db2.gz JQKJNTGMBKSLKH-CQSZACIVSA-N 1 2 352.866 2.104 10 0 FEAELO COCc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000109645218 543330317 /nfs/dbraw/zinc/33/03/17/543330317.db2.gz YVOCEWOWEPPOQQ-FQEVSTJZSA-N 1 2 354.450 2.324 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cs1 ZINC000109649623 543331306 /nfs/dbraw/zinc/33/13/06/543331306.db2.gz AUEBDUCESPCMDJ-UHFFFAOYSA-N 1 2 356.455 2.071 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cs1 ZINC000109649623 543331309 /nfs/dbraw/zinc/33/13/09/543331309.db2.gz AUEBDUCESPCMDJ-UHFFFAOYSA-N 1 2 356.455 2.071 10 0 FEAELO CC(=O)c1cccc(OCC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000110939967 543374581 /nfs/dbraw/zinc/37/45/81/543374581.db2.gz DYGLUPDHQLMZRP-UHFFFAOYSA-N 1 2 373.478 2.377 10 0 FEAELO COc1ccc(-c2nc(C[N@@H+]3CCCN(c4cccnn4)CC3)no2)cc1 ZINC000111227181 543386392 /nfs/dbraw/zinc/38/63/92/543386392.db2.gz LIULOZHYOWXMAV-UHFFFAOYSA-N 1 2 366.425 2.248 10 0 FEAELO COc1ccc(-c2nc(C[N@H+]3CCCN(c4cccnn4)CC3)no2)cc1 ZINC000111227181 543386394 /nfs/dbraw/zinc/38/63/94/543386394.db2.gz LIULOZHYOWXMAV-UHFFFAOYSA-N 1 2 366.425 2.248 10 0 FEAELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111682754 543411948 /nfs/dbraw/zinc/41/19/48/543411948.db2.gz SXOPZGIOCXUOFU-HOTGVXAUSA-N 1 2 365.905 2.002 10 0 FEAELO Cc1ncc(CN2CCN(C(=O)NCCCNc3cccc[nH+]3)CC2)s1 ZINC000111824430 543417900 /nfs/dbraw/zinc/41/79/00/543417900.db2.gz FBWRQEITJSAPFG-UHFFFAOYSA-N 1 2 374.514 2.176 10 0 FEAELO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483751 543520705 /nfs/dbraw/zinc/52/07/05/543520705.db2.gz KSCNRWWFTUQWSE-QGZVFWFLSA-N 1 2 371.441 2.431 10 0 FEAELO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483751 543520708 /nfs/dbraw/zinc/52/07/08/543520708.db2.gz KSCNRWWFTUQWSE-QGZVFWFLSA-N 1 2 371.441 2.431 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000115387453 543563997 /nfs/dbraw/zinc/56/39/97/543563997.db2.gz RVODPBWIHFGATF-SFHVURJKSA-N 1 2 368.481 2.247 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000115390347 543565034 /nfs/dbraw/zinc/56/50/34/543565034.db2.gz KGDSITMNEMLNRK-QGZVFWFLSA-N 1 2 350.507 2.132 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000117521645 543635419 /nfs/dbraw/zinc/63/54/19/543635419.db2.gz ZBEIDMGFTATFDI-CYBMUJFWSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000117521645 543635423 /nfs/dbraw/zinc/63/54/23/543635423.db2.gz ZBEIDMGFTATFDI-CYBMUJFWSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(F)cc(F)c2)C[C@H]1CC ZINC000116899033 543618933 /nfs/dbraw/zinc/61/89/33/543618933.db2.gz LMMWZUDGCVYGOS-OAHLLOKOSA-N 1 2 362.442 2.086 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(F)cc(F)c2)C[C@H]1CC ZINC000116899033 543618935 /nfs/dbraw/zinc/61/89/35/543618935.db2.gz LMMWZUDGCVYGOS-OAHLLOKOSA-N 1 2 362.442 2.086 10 0 FEAELO Clc1ccc(C2=NO[C@H](C[NH+]3CCN(c4cnccn4)CC3)C2)cc1 ZINC000122609958 543713394 /nfs/dbraw/zinc/71/33/94/543713394.db2.gz CZVWHTQQKQFQOF-INIZCTEOSA-N 1 2 357.845 2.445 10 0 FEAELO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)O1 ZINC000125409412 543879758 /nfs/dbraw/zinc/87/97/58/543879758.db2.gz BWQGGEYJGVAGTF-PBHICJAKSA-N 1 2 352.862 2.431 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCCc2ccc(Br)o2)[nH+]cn1 ZINC000132140652 544220612 /nfs/dbraw/zinc/22/06/12/544220612.db2.gz VSUXVUKQRHTVLA-LLVKDONJSA-N 1 2 367.247 2.448 10 0 FEAELO OC[C@H]1CCCN1c1cc(NCCc2ccc(Br)o2)nc[nH+]1 ZINC000132140652 544220613 /nfs/dbraw/zinc/22/06/13/544220613.db2.gz VSUXVUKQRHTVLA-LLVKDONJSA-N 1 2 367.247 2.448 10 0 FEAELO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1-c1ccccn1 ZINC000133465789 544271150 /nfs/dbraw/zinc/27/11/50/544271150.db2.gz CGGMMTYGZOEVCU-KRWDZBQOSA-N 1 2 367.449 2.304 10 0 FEAELO CN1C(=O)C[C@H](C(=O)NCCCNc2cccc[nH+]2)[C@@H]1c1ccc(F)cc1 ZINC000135185477 544337603 /nfs/dbraw/zinc/33/76/03/544337603.db2.gz JROROYPLPOBGOW-LPHOPBHVSA-N 1 2 370.428 2.359 10 0 FEAELO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000140549497 544409232 /nfs/dbraw/zinc/40/92/32/544409232.db2.gz HPXRPIVHVXBCIT-SJKOYZFVSA-N 1 2 352.504 2.401 10 0 FEAELO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000140549497 544409235 /nfs/dbraw/zinc/40/92/35/544409235.db2.gz HPXRPIVHVXBCIT-SJKOYZFVSA-N 1 2 352.504 2.401 10 0 FEAELO Cc1cnn(-c2ccc(NC(=O)NC[C@@H](C)[NH+]3CCOCC3)cc2F)c1 ZINC000151646828 544566464 /nfs/dbraw/zinc/56/64/64/544566464.db2.gz ODGCUOWULIVVQH-CQSZACIVSA-N 1 2 361.421 2.162 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NC3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000154954763 544970466 /nfs/dbraw/zinc/97/04/66/544970466.db2.gz HTIWOEWZLRBXIC-STQMWFEESA-N 1 2 352.504 2.235 10 0 FEAELO C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000179850005 327662276 /nfs/dbraw/zinc/66/22/76/327662276.db2.gz SGXMQNIDVSKWPZ-ZIAGYGMSSA-N 1 2 352.862 2.386 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N2C[C@H](C)OC[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000183203759 327806816 /nfs/dbraw/zinc/80/68/16/327806816.db2.gz MJZVQWBROMCOSP-DZKIICNBSA-N 1 2 367.515 2.249 10 0 FEAELO O[C@H](CN1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)c(Br)c1 ZINC000187084638 328001313 /nfs/dbraw/zinc/00/13/13/328001313.db2.gz SZQUDQWPIYGPAT-XJKSGUPXSA-N 1 2 373.266 2.028 10 0 FEAELO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000187132085 328003773 /nfs/dbraw/zinc/00/37/73/328003773.db2.gz SNAPKBWWZBTMDG-UONOGXRCSA-N 1 2 366.437 2.111 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)[nH]n2)cc1C ZINC000187444514 328025796 /nfs/dbraw/zinc/02/57/96/328025796.db2.gz ADEADIRRJJWXKL-QGZVFWFLSA-N 1 2 354.454 2.240 10 0 FEAELO Cc1c(Br)cccc1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000188238024 328075166 /nfs/dbraw/zinc/07/51/66/328075166.db2.gz HNZJUJFRWBVAAS-HNNXBMFYSA-N 1 2 367.287 2.233 10 0 FEAELO C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000188838941 328113655 /nfs/dbraw/zinc/11/36/55/328113655.db2.gz IHXGGFRTEKNERY-XHSDSOJGSA-N 1 2 352.500 2.395 10 0 FEAELO C[C@H](NC(=O)N1CCC[C@H](OCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189043965 328125445 /nfs/dbraw/zinc/12/54/45/328125445.db2.gz ZVPDOXUSHIVLSM-YJBOKZPZSA-N 1 2 358.442 2.116 10 0 FEAELO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191738729 328279416 /nfs/dbraw/zinc/27/94/16/328279416.db2.gz ARHBOIMXKPFKPX-CVEARBPZSA-N 1 2 361.486 2.042 10 0 FEAELO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191738729 328279417 /nfs/dbraw/zinc/27/94/17/328279417.db2.gz ARHBOIMXKPFKPX-CVEARBPZSA-N 1 2 361.486 2.042 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2snnc2C(C)(C)C)C[C@@H]1CC ZINC000191956600 328290294 /nfs/dbraw/zinc/29/02/94/328290294.db2.gz HIWOLPJIRIXDBN-ZDUSSCGKSA-N 1 2 354.520 2.409 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2snnc2C(C)(C)C)C[C@@H]1CC ZINC000191956600 328290295 /nfs/dbraw/zinc/29/02/95/328290295.db2.gz HIWOLPJIRIXDBN-ZDUSSCGKSA-N 1 2 354.520 2.409 10 0 FEAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191992427 328292167 /nfs/dbraw/zinc/29/21/67/328292167.db2.gz AZNCQFCHUNDEQR-HZPDHXFCSA-N 1 2 353.507 2.037 10 0 FEAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191992427 328292168 /nfs/dbraw/zinc/29/21/68/328292168.db2.gz AZNCQFCHUNDEQR-HZPDHXFCSA-N 1 2 353.507 2.037 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192563260 328325850 /nfs/dbraw/zinc/32/58/50/328325850.db2.gz YJDUTBOFJSCVQZ-CQSZACIVSA-N 1 2 366.462 2.090 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192563260 328325851 /nfs/dbraw/zinc/32/58/51/328325851.db2.gz YJDUTBOFJSCVQZ-CQSZACIVSA-N 1 2 366.462 2.090 10 0 FEAELO CC(C)n1nnnc1CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000195046614 328453152 /nfs/dbraw/zinc/45/31/52/328453152.db2.gz VONYHOVMWJMVCE-UHFFFAOYSA-N 1 2 364.881 2.104 10 0 FEAELO C[C@H](CNC(=O)NCc1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000031052536 324465045 /nfs/dbraw/zinc/46/50/45/324465045.db2.gz HYZBHQAXCBYWDG-GFCCVEGCSA-N 1 2 361.364 2.105 10 0 FEAELO C[C@H](CNC(=O)Nc1cccc(Cl)c1-n1cccn1)[NH+]1CCOCC1 ZINC000047630111 324639983 /nfs/dbraw/zinc/63/99/83/324639983.db2.gz OSXSVHLAZVBFQV-CYBMUJFWSA-N 1 2 363.849 2.368 10 0 FEAELO C[C@@H](CNC(=O)N1CCC(COc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000056623803 324809755 /nfs/dbraw/zinc/80/97/55/324809755.db2.gz WMERRXWLVCFLAM-KRWDZBQOSA-N 1 2 361.486 2.208 10 0 FEAELO CN(c1cccnn1)C1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000106085131 325578152 /nfs/dbraw/zinc/57/81/52/325578152.db2.gz RYLCTMRSGGILMK-UHFFFAOYSA-N 1 2 361.396 2.294 10 0 FEAELO FC(F)Oc1ccccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106092187 325579035 /nfs/dbraw/zinc/57/90/35/325579035.db2.gz ABAHQUNDFHTOPK-UHFFFAOYSA-N 1 2 360.368 2.048 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)n1 ZINC000106132289 325585210 /nfs/dbraw/zinc/58/52/10/325585210.db2.gz VSYCFYOKIQQSDY-ABAIWWIYSA-N 1 2 352.385 2.068 10 0 FEAELO COC(=O)c1occc1CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145010 325586289 /nfs/dbraw/zinc/58/62/89/325586289.db2.gz GUORAIYRYPNLJL-UHFFFAOYSA-N 1 2 360.458 2.336 10 0 FEAELO C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1Br)[NH+]1CCOCC1 ZINC000112273060 325765732 /nfs/dbraw/zinc/76/57/32/325765732.db2.gz TXVRZWMYTKKKLI-STQMWFEESA-N 1 2 371.275 2.053 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000115389274 325955286 /nfs/dbraw/zinc/95/52/86/325955286.db2.gz SBDGPBFYDIKQQS-QGZVFWFLSA-N 1 2 356.470 2.149 10 0 FEAELO O=C(CNC(=O)C[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccc(F)c(F)c1 ZINC000116294291 326004040 /nfs/dbraw/zinc/00/40/40/326004040.db2.gz WYTHFZYHMGQOSH-HNNXBMFYSA-N 1 2 363.364 2.450 10 0 FEAELO O=C(CNC(=O)C[N@H+]1CCC[C@H]1c1ccco1)Nc1ccc(F)c(F)c1 ZINC000116294291 326004044 /nfs/dbraw/zinc/00/40/44/326004044.db2.gz WYTHFZYHMGQOSH-HNNXBMFYSA-N 1 2 363.364 2.450 10 0 FEAELO O=C(Nc1ccc(F)cc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117399822 326059920 /nfs/dbraw/zinc/05/99/20/326059920.db2.gz VEZNTACYBCMEAE-SFHVURJKSA-N 1 2 373.428 2.415 10 0 FEAELO CCCC(O)(CCC)CC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000119072309 326124360 /nfs/dbraw/zinc/12/43/60/326124360.db2.gz ISHPCGRSKBSCRU-HNNXBMFYSA-N 1 2 363.506 2.325 10 0 FEAELO CCCC(O)(CCC)CC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000119072309 326124363 /nfs/dbraw/zinc/12/43/63/326124363.db2.gz ISHPCGRSKBSCRU-HNNXBMFYSA-N 1 2 363.506 2.325 10 0 FEAELO CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119242375 326140499 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CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2cccc(C)c2)[nH+]cn1 ZINC000174484426 327329938 /nfs/dbraw/zinc/32/99/38/327329938.db2.gz PRJGCMDVZPLUIS-QGZVFWFLSA-N 1 2 368.485 2.337 10 0 FEAELO CCC(O)(CC)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000175001207 327366998 /nfs/dbraw/zinc/36/69/98/327366998.db2.gz PQVXQZZRBXADIF-HNNXBMFYSA-N 1 2 369.531 2.280 10 0 FEAELO C[C@H]1CN(S(=O)(=O)c2cccc3ccccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176740421 327473123 /nfs/dbraw/zinc/47/31/23/327473123.db2.gz GXWOFIRKWQKBLF-YJBOKZPZSA-N 1 2 360.479 2.181 10 0 FEAELO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000177892377 327551452 /nfs/dbraw/zinc/55/14/52/327551452.db2.gz PHNIJZFDLRSNKK-RDTXWAMCSA-N 1 2 357.454 2.390 10 0 FEAELO CNC(=O)[C@H](NC(=O)NCc1[nH+]ccn1CCCc1ccccc1)C(C)C ZINC000178403753 327582843 /nfs/dbraw/zinc/58/28/43/327582843.db2.gz GBPDEDZUMITHRP-GOSISDBHSA-N 1 2 371.485 2.086 10 0 FEAELO C[C@H](NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000178561167 327592385 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CCOc1ccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000182809683 547556267 /nfs/dbraw/zinc/55/62/67/547556267.db2.gz LBYHAXJTYQFLGW-UHFFFAOYSA-N 1 2 370.453 2.466 10 0 FEAELO CC[C@@H]1CN(C(=O)Nc2ccccc2C[S@](C)=O)CC[N@@H+]1CCOC ZINC000184361332 547813542 /nfs/dbraw/zinc/81/35/42/547813542.db2.gz NDROJIFQRDJXCC-CPJLOUKISA-N 1 2 367.515 2.140 10 0 FEAELO CC[C@@H]1CN(C(=O)Nc2ccccc2C[S@](C)=O)CC[N@H+]1CCOC ZINC000184361332 547813546 /nfs/dbraw/zinc/81/35/46/547813546.db2.gz NDROJIFQRDJXCC-CPJLOUKISA-N 1 2 367.515 2.140 10 0 FEAELO CCCCOc1cc(OC)ccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000185964022 548066730 /nfs/dbraw/zinc/06/67/30/548066730.db2.gz XAVJYFWCJSCOKQ-INIZCTEOSA-N 1 2 362.470 2.421 10 0 FEAELO CCc1noc2ncc(S(=O)(=O)N(C)c3ccc[nH+]c3N(C)C)cc12 ZINC000186253671 548107423 /nfs/dbraw/zinc/10/74/23/548107423.db2.gz HYRSRGCXGYSQQR-UHFFFAOYSA-N 1 2 361.427 2.071 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000186385243 548127938 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C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000245852495 549004295 /nfs/dbraw/zinc/00/42/95/549004295.db2.gz CWAQTYGHBAVDCP-NZSAHSFTSA-N 1 2 361.530 2.358 10 0 FEAELO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245869475 549006157 /nfs/dbraw/zinc/00/61/57/549006157.db2.gz VRRYTZYOEHAIMS-QAPCUYQASA-N 1 2 369.465 2.291 10 0 FEAELO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245869475 549006162 /nfs/dbraw/zinc/00/61/62/549006162.db2.gz VRRYTZYOEHAIMS-QAPCUYQASA-N 1 2 369.465 2.291 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)Cc1ccccc1OC ZINC000245928571 549020994 /nfs/dbraw/zinc/02/09/94/549020994.db2.gz XJVSMOKKESLXCQ-NXHRZFHOSA-N 1 2 374.481 2.460 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)Cc1ccccc1OC ZINC000245928571 549020997 /nfs/dbraw/zinc/02/09/97/549020997.db2.gz XJVSMOKKESLXCQ-NXHRZFHOSA-N 1 2 374.481 2.460 10 0 FEAELO COC[C@H](NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000246227303 549083565 /nfs/dbraw/zinc/08/35/65/549083565.db2.gz FJHNEARRIKDKIM-CWRNSKLLSA-N 1 2 367.515 2.234 10 0 FEAELO COC[C@H](NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000246227303 549083568 /nfs/dbraw/zinc/08/35/68/549083568.db2.gz FJHNEARRIKDKIM-CWRNSKLLSA-N 1 2 367.515 2.234 10 0 FEAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)[nH]1 ZINC000246263181 549091633 /nfs/dbraw/zinc/09/16/33/549091633.db2.gz GNDWUIALQYKKMK-MSOLQXFVSA-N 1 2 372.469 2.498 10 0 FEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)[nH]1 ZINC000246263181 549091636 /nfs/dbraw/zinc/09/16/36/549091636.db2.gz GNDWUIALQYKKMK-MSOLQXFVSA-N 1 2 372.469 2.498 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246353435 549112763 /nfs/dbraw/zinc/11/27/63/549112763.db2.gz GBQQFGYZYMADSU-XJKSGUPXSA-N 1 2 371.403 2.296 10 0 FEAELO Cc1ccc(NC(=O)CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000246629002 549177979 /nfs/dbraw/zinc/17/79/79/549177979.db2.gz 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C[C@H]1C[N@H+]([C@H](CNC(=O)NCCc2ccccn2)c2cccs2)CCO1 ZINC000246850927 549227247 /nfs/dbraw/zinc/22/72/47/549227247.db2.gz LPCPAXVWFMWNNL-DOTOQJQBSA-N 1 2 374.510 2.447 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n1 ZINC000247874049 549388622 /nfs/dbraw/zinc/38/86/22/549388622.db2.gz YEXGXUXHNOXLNH-MSOLQXFVSA-N 1 2 350.507 2.235 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n1 ZINC000247874049 549388627 /nfs/dbraw/zinc/38/86/27/549388627.db2.gz YEXGXUXHNOXLNH-MSOLQXFVSA-N 1 2 350.507 2.235 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](CC(=O)N[C@H](C)c3ccc(C)c(C)c3)CCO2)c1 ZINC000247873188 549388876 /nfs/dbraw/zinc/38/88/76/549388876.db2.gz XYLNKRBZXUQEEF-UYAOXDASSA-N 1 2 370.497 2.387 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+](CC(=O)N[C@H](C)c3ccc(C)c(C)c3)CCO2)c1 ZINC000247873188 549388878 /nfs/dbraw/zinc/38/88/78/549388878.db2.gz XYLNKRBZXUQEEF-UYAOXDASSA-N 1 2 370.497 2.387 10 0 FEAELO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C)nn3)CC2)sc1C ZINC000247879018 549388909 /nfs/dbraw/zinc/38/89/09/549388909.db2.gz ZAXSJHGCIVXAES-CQSZACIVSA-N 1 2 374.514 2.398 10 0 FEAELO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C)nn3)CC2)sc1C ZINC000247879018 549388913 /nfs/dbraw/zinc/38/89/13/549388913.db2.gz ZAXSJHGCIVXAES-CQSZACIVSA-N 1 2 374.514 2.398 10 0 FEAELO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)C[C@@H](C)O1 ZINC000248358256 549421930 /nfs/dbraw/zinc/42/19/30/549421930.db2.gz QORKQONZEXSQRD-KLHDSHLOSA-N 1 2 367.515 2.329 10 0 FEAELO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)C[C@@H](C)O1 ZINC000248358256 549421934 /nfs/dbraw/zinc/42/19/34/549421934.db2.gz QORKQONZEXSQRD-KLHDSHLOSA-N 1 2 367.515 2.329 10 0 FEAELO CC[C@@H]1CN(C(=O)Nc2ccccc2C[S@@](C)=O)CC[N@@H+]1CCOC ZINC000248398294 549428274 /nfs/dbraw/zinc/42/82/74/549428274.db2.gz NDROJIFQRDJXCC-PUAOIOHZSA-N 1 2 367.515 2.140 10 0 FEAELO CC[C@@H]1CN(C(=O)Nc2ccccc2C[S@@](C)=O)CC[N@H+]1CCOC ZINC000248398294 549428276 /nfs/dbraw/zinc/42/82/76/549428276.db2.gz NDROJIFQRDJXCC-PUAOIOHZSA-N 1 2 367.515 2.140 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2ccc(O)cc2O)c2cccs2)CCO1 ZINC000248416099 549432579 /nfs/dbraw/zinc/43/25/79/549432579.db2.gz OYGCESQGEZVOGV-IUODEOHRSA-N 1 2 362.451 2.351 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2ccc(O)cc2O)c2cccs2)CCO1 ZINC000248416099 549432584 /nfs/dbraw/zinc/43/25/84/549432584.db2.gz OYGCESQGEZVOGV-IUODEOHRSA-N 1 2 362.451 2.351 10 0 FEAELO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000248422148 549434145 /nfs/dbraw/zinc/43/41/45/549434145.db2.gz CBBRDCLHIYECFF-KKUMJFAQSA-N 1 2 366.889 2.462 10 0 FEAELO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000248422148 549434147 /nfs/dbraw/zinc/43/41/47/549434147.db2.gz CBBRDCLHIYECFF-KKUMJFAQSA-N 1 2 366.889 2.462 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CCc2ccncn2)c2cccs2)CCO1 ZINC000248670734 549481586 /nfs/dbraw/zinc/48/15/86/549481586.db2.gz QKPLZDXXAHUPDO-GDBMZVCRSA-N 1 2 360.483 2.049 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)CCc2ccncn2)c2cccs2)CCO1 ZINC000248670734 549481592 /nfs/dbraw/zinc/48/15/92/549481592.db2.gz QKPLZDXXAHUPDO-GDBMZVCRSA-N 1 2 360.483 2.049 10 0 FEAELO CCn1cc([C@H]2C[N@H+](C[C@@H](O)COc3cc(C)cc(C)c3)CCO2)cn1 ZINC000248797524 549503659 /nfs/dbraw/zinc/50/36/59/549503659.db2.gz PKICKOIKKYLWOA-UYAOXDASSA-N 1 2 359.470 2.333 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](C[C@@H](O)COc3cc(C)cc(C)c3)CCO2)cn1 ZINC000248797524 549503661 /nfs/dbraw/zinc/50/36/61/549503661.db2.gz PKICKOIKKYLWOA-UYAOXDASSA-N 1 2 359.470 2.333 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000249243216 549572296 /nfs/dbraw/zinc/57/22/96/549572296.db2.gz RYPRHGXJUUFETJ-IMJJTQAJSA-N 1 2 354.410 2.214 10 0 FEAELO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255890282 549709947 /nfs/dbraw/zinc/70/99/47/549709947.db2.gz HCFQVXZFDDEXCQ-VWTAQGJOSA-N 1 2 367.449 2.256 10 0 FEAELO O=C(CCn1cccn1)N1CCC2(CC[C@@H](COc3cc[nH+]cc3)O2)CC1 ZINC000257191912 549715881 /nfs/dbraw/zinc/71/58/81/549715881.db2.gz RQRRKGCEBIJVIV-SFHVURJKSA-N 1 2 370.453 2.287 10 0 FEAELO CC(C)c1nc(N2CCN(C(=O)c3ccccc3F)CC2)nc(N(C)C)[nH+]1 ZINC000301872607 553687220 /nfs/dbraw/zinc/68/72/20/553687220.db2.gz DIDPBNZBEPUMLQ-UHFFFAOYSA-N 1 2 372.448 2.163 10 0 FEAELO CC(C)c1nc(N(C)C)nc(N2CCN(C(=O)c3ccccc3F)CC2)[nH+]1 ZINC000301872607 553687221 /nfs/dbraw/zinc/68/72/21/553687221.db2.gz DIDPBNZBEPUMLQ-UHFFFAOYSA-N 1 2 372.448 2.163 10 0 FEAELO O=c1ccnc2sc(NCC[N@H+]3CCc4c(Cl)cccc4C3)nn21 ZINC000302666362 553724699 /nfs/dbraw/zinc/72/46/99/553724699.db2.gz MOUIFSRDVBCIIM-UHFFFAOYSA-N 1 2 361.858 2.275 10 0 FEAELO O=c1ccnc2sc(NCC[N@@H+]3CCc4c(Cl)cccc4C3)nn21 ZINC000302666362 553724701 /nfs/dbraw/zinc/72/47/01/553724701.db2.gz MOUIFSRDVBCIIM-UHFFFAOYSA-N 1 2 361.858 2.275 10 0 FEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000384788078 558605730 /nfs/dbraw/zinc/60/57/30/558605730.db2.gz VDDWDPUNIGWTMH-RISCZKNCSA-N 1 2 362.289 2.068 10 0 FEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000384788078 558605731 /nfs/dbraw/zinc/60/57/31/558605731.db2.gz VDDWDPUNIGWTMH-RISCZKNCSA-N 1 2 362.289 2.068 10 0 FEAELO O=C(C[C@@H]1CCCCNC1=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000427667291 559760182 /nfs/dbraw/zinc/76/01/82/559760182.db2.gz OCXUPUBIHUCONZ-QBUQCISBSA-N 1 2 355.482 2.150 10 0 FEAELO Cc1nnc(NC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)s1 ZINC000096545052 670760845 /nfs/dbraw/zinc/76/08/45/670760845.db2.gz AREAVNINVMCXDR-YVMONPNESA-N 1 2 357.483 2.116 10 0 FEAELO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000181657277 672429035 /nfs/dbraw/zinc/42/90/35/672429035.db2.gz BABAQGRGGFSCRH-AWEZNQCLSA-N 1 2 351.403 2.051 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248429980 672856511 /nfs/dbraw/zinc/85/65/11/672856511.db2.gz UYGMUWGHRCFVAM-IUODEOHRSA-N 1 2 359.239 2.222 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248429980 672856517 /nfs/dbraw/zinc/85/65/17/672856517.db2.gz UYGMUWGHRCFVAM-IUODEOHRSA-N 1 2 359.239 2.222 10 0 FEAELO O=C(O)c1cn(-c2ccccc2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000005939438 539419443 /nfs/dbraw/zinc/41/94/43/539419443.db2.gz LNDZQOCPDSKPRL-UHFFFAOYSA-N 1 2 367.380 2.238 10 0 FEAELO C[C@@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)[NH+]1CCOCC1 ZINC000029958642 539870710 /nfs/dbraw/zinc/87/07/10/539870710.db2.gz KUOIFAFILAKSJW-AWEZNQCLSA-N 1 2 362.401 2.448 10 0 FEAELO CC(C)NC(=O)[C@@H]1Cc2ccccc2N2CCN(c3cccc[nH+]3)C[C@H]12 ZINC000035893799 539985289 /nfs/dbraw/zinc/98/52/89/539985289.db2.gz VADZIFOCXHVDTF-IEBWSBKVSA-N 1 2 350.466 2.474 10 0 FEAELO C[C@H](CNC(=O)N(C)Cc1ccc(OC(F)F)cc1)[NH+]1CCOCC1 ZINC000046264159 540249879 /nfs/dbraw/zinc/24/98/79/540249879.db2.gz NSPKACLUSOOKQT-CYBMUJFWSA-N 1 2 357.401 2.150 10 0 FEAELO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000057543248 540801725 /nfs/dbraw/zinc/80/17/25/540801725.db2.gz PNTJUFBGXYOTRE-AWEZNQCLSA-N 1 2 360.458 2.186 10 0 FEAELO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1-c1ccccc1Cl ZINC000066374717 541309955 /nfs/dbraw/zinc/30/99/55/541309955.db2.gz IVQKRPWDPQXJGQ-CYBMUJFWSA-N 1 2 362.861 2.285 10 0 FEAELO O=c1[nH]c(C[N@H+]2CC[C@@H](O)C2)nc2c3cc(Br)ccc3oc21 ZINC000043206168 205101275 /nfs/dbraw/zinc/10/12/75/205101275.db2.gz FRRLLRQAGKSVMU-SECBINFHSA-N 1 2 364.199 2.411 10 0 FEAELO O=c1[nH]c(C[N@@H+]2CC[C@@H](O)C2)nc2c3cc(Br)ccc3oc21 ZINC000043206168 205101280 /nfs/dbraw/zinc/10/12/80/205101280.db2.gz FRRLLRQAGKSVMU-SECBINFHSA-N 1 2 364.199 2.411 10 0 FEAELO C[C@@H]1CN(C(=O)C[N@H+]2CC=C(c3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000065527219 205356787 /nfs/dbraw/zinc/35/67/87/205356787.db2.gz ALQYUDZZLRMRNB-IYBDPMFKSA-N 1 2 360.502 2.363 10 0 FEAELO C[C@@H]1CN(C(=O)C[N@@H+]2CC=C(c3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000065527219 205356789 /nfs/dbraw/zinc/35/67/89/205356789.db2.gz ALQYUDZZLRMRNB-IYBDPMFKSA-N 1 2 360.502 2.363 10 0 FEAELO CC[C@H](O)C(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000067805329 205392967 /nfs/dbraw/zinc/39/29/67/205392967.db2.gz DPLFXILXADQOJD-IBGZPJMESA-N 1 2 368.481 2.104 10 0 FEAELO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000077344047 542370333 /nfs/dbraw/zinc/37/03/33/542370333.db2.gz WKOCINRLHDWJSU-CPUCHLNUSA-N 1 2 369.893 2.436 10 0 FEAELO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1F ZINC000077830858 542425302 /nfs/dbraw/zinc/42/53/02/542425302.db2.gz YXKYASLKMBRQOC-MAZHCROVSA-N 1 2 355.429 2.418 10 0 FEAELO COCCNc1nc[nH+]c(N2CCN(c3cccc(Cl)c3)CC2)c1N ZINC000040728255 136120423 /nfs/dbraw/zinc/12/04/23/136120423.db2.gz CMVRPUOQQARNMZ-UHFFFAOYSA-N 1 2 362.865 2.097 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000103477059 543110434 /nfs/dbraw/zinc/11/04/34/543110434.db2.gz CNWBJEBZOZVFIN-HNNXBMFYSA-N 1 2 371.489 2.428 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000103477059 543110437 /nfs/dbraw/zinc/11/04/37/543110437.db2.gz CNWBJEBZOZVFIN-HNNXBMFYSA-N 1 2 371.489 2.428 10 0 FEAELO C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104791132 543144428 /nfs/dbraw/zinc/14/44/28/543144428.db2.gz AEJOHPNDRHLBIQ-CRAIPNDOSA-N 1 2 363.502 2.381 10 0 FEAELO C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104791132 543144430 /nfs/dbraw/zinc/14/44/30/543144430.db2.gz AEJOHPNDRHLBIQ-CRAIPNDOSA-N 1 2 363.502 2.381 10 0 FEAELO CN(Cc1ccccc1OC(F)(F)F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104799782 543145195 /nfs/dbraw/zinc/14/51/95/543145195.db2.gz REQXKLDCVCNYRG-ZDUSSCGKSA-N 1 2 361.364 2.057 10 0 FEAELO CN(Cc1ccccc1OC(F)(F)F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104799782 543145196 /nfs/dbraw/zinc/14/51/96/543145196.db2.gz REQXKLDCVCNYRG-ZDUSSCGKSA-N 1 2 361.364 2.057 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)C1 ZINC000105282595 543168983 /nfs/dbraw/zinc/16/89/83/543168983.db2.gz MYFXDRSMFWYDIR-HNNXBMFYSA-N 1 2 374.466 2.453 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)C1 ZINC000105282595 543168986 /nfs/dbraw/zinc/16/89/86/543168986.db2.gz MYFXDRSMFWYDIR-HNNXBMFYSA-N 1 2 374.466 2.453 10 0 FEAELO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)Nc1cc(Cl)ccc1F ZINC000106071179 543188799 /nfs/dbraw/zinc/18/87/99/543188799.db2.gz JWQAQOIVKBMFSU-UHFFFAOYSA-N 1 2 363.824 2.420 10 0 FEAELO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)Nc1cc(Cl)ccc1F ZINC000106071179 543188801 /nfs/dbraw/zinc/18/88/01/543188801.db2.gz JWQAQOIVKBMFSU-UHFFFAOYSA-N 1 2 363.824 2.420 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106079590 543191701 /nfs/dbraw/zinc/19/17/01/543191701.db2.gz VIZKPTGDYQZBBM-GOSISDBHSA-N 1 2 367.453 2.219 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106079590 543191704 /nfs/dbraw/zinc/19/17/04/543191704.db2.gz VIZKPTGDYQZBBM-GOSISDBHSA-N 1 2 367.453 2.219 10 0 FEAELO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084190 543193025 /nfs/dbraw/zinc/19/30/25/543193025.db2.gz YLUYPHLOAPDODG-OAHLLOKOSA-N 1 2 371.489 2.182 10 0 FEAELO CC(C)(C)n1cc(CN2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)cn1 ZINC000106144621 543207675 /nfs/dbraw/zinc/20/76/75/543207675.db2.gz DBKRJSJWCFWFIE-UHFFFAOYSA-N 1 2 355.486 2.055 10 0 FEAELO CC(C)(C)n1cc(C[NH+]2CCN(Cc3cccc(C(N)=O)c3)CC2)cn1 ZINC000106144621 543207678 /nfs/dbraw/zinc/20/76/78/543207678.db2.gz DBKRJSJWCFWFIE-UHFFFAOYSA-N 1 2 355.486 2.055 10 0 FEAELO Cc1nnc(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1C1CC1 ZINC000106144381 543207793 /nfs/dbraw/zinc/20/77/93/543207793.db2.gz JFUSNMJWHYLLTC-UHFFFAOYSA-N 1 2 357.506 2.191 10 0 FEAELO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190491 543215459 /nfs/dbraw/zinc/21/54/59/543215459.db2.gz DNUFUSZWGPSLAL-LMMKCTJWSA-N 1 2 368.481 2.340 10 0 FEAELO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190491 543215460 /nfs/dbraw/zinc/21/54/60/543215460.db2.gz DNUFUSZWGPSLAL-LMMKCTJWSA-N 1 2 368.481 2.340 10 0 FEAELO CC(C)COc1ccc(CCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000106529743 543234482 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COc1cc(C)c(CN(C)c2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1OC ZINC000110117361 543349518 /nfs/dbraw/zinc/34/95/18/543349518.db2.gz MSMMAOBJWFLBOJ-MRXNPFEDSA-N 1 2 372.469 2.400 10 0 FEAELO COc1cc(C)c(CN(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1OC ZINC000110117361 543349520 /nfs/dbraw/zinc/34/95/20/543349520.db2.gz MSMMAOBJWFLBOJ-MRXNPFEDSA-N 1 2 372.469 2.400 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3[nH]nc4ccccc43)CC2)s1 ZINC000110940942 543374767 /nfs/dbraw/zinc/37/47/67/543374767.db2.gz VTBCZSNODMQVSL-UHFFFAOYSA-N 1 2 355.467 2.215 10 0 FEAELO CC[N@H+](CCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000111806772 543416385 /nfs/dbraw/zinc/41/63/85/543416385.db2.gz NZIRFEXCPHVJHH-LJQANCHMSA-N 1 2 371.485 2.210 10 0 FEAELO CC[N@@H+](CCCNC(=O)N1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 ZINC000111806772 543416388 /nfs/dbraw/zinc/41/63/88/543416388.db2.gz NZIRFEXCPHVJHH-LJQANCHMSA-N 1 2 371.485 2.210 10 0 FEAELO C[N@@H+]1CCO[C@@H](CN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000112548843 543451403 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C[C@@H](NC(=O)NC[C@@]1(CCO)CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000131338787 544186500 /nfs/dbraw/zinc/18/65/00/544186500.db2.gz PNMXFCMKMFOODF-DNVCBOLYSA-N 1 2 358.442 2.022 10 0 FEAELO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000139990768 544405978 /nfs/dbraw/zinc/40/59/78/544405978.db2.gz VDXSTVWLAOVCDQ-HZPDHXFCSA-N 1 2 370.497 2.274 10 0 FEAELO Cc1cc(-c2noc(CN3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2)ccc1F ZINC000151614466 544561880 /nfs/dbraw/zinc/56/18/80/544561880.db2.gz MPMOIPNULIALKZ-WMLDXEAASA-N 1 2 360.433 2.337 10 0 FEAELO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccnn1C1CCCC1 ZINC000152579958 544670821 /nfs/dbraw/zinc/67/08/21/544670821.db2.gz GPBNJCVKXNFOSB-KRWDZBQOSA-N 1 2 355.442 2.485 10 0 FEAELO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccnn1C1CCCC1 ZINC000152579958 544670824 /nfs/dbraw/zinc/67/08/24/544670824.db2.gz GPBNJCVKXNFOSB-KRWDZBQOSA-N 1 2 355.442 2.485 10 0 FEAELO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181537416 327734678 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O=S(=O)(CC[NH+]1CCC(Cn2cccn2)CC1)c1ccc(F)cc1 ZINC000192577036 328326762 /nfs/dbraw/zinc/32/67/62/328326762.db2.gz YZDJXZDONGHYCI-UHFFFAOYSA-N 1 2 351.447 2.208 10 0 FEAELO O=S(=O)(CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccc(F)cc1 ZINC000192798931 328340298 /nfs/dbraw/zinc/34/02/98/328340298.db2.gz JQOSAXFYBVFWKQ-YOEHRIQHSA-N 1 2 369.483 2.369 10 0 FEAELO O=S(=O)(CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccc(F)cc1 ZINC000192798931 328340299 /nfs/dbraw/zinc/34/02/99/328340299.db2.gz JQOSAXFYBVFWKQ-YOEHRIQHSA-N 1 2 369.483 2.369 10 0 FEAELO CCc1nnc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1C ZINC000195090893 328455858 /nfs/dbraw/zinc/45/58/58/328455858.db2.gz MJFIATCMSQBINK-UHFFFAOYSA-N 1 2 362.865 2.277 10 0 FEAELO C[C@H](CNC(=O)NCCOc1ccc2ccccc2c1)[NH+]1CCOCC1 ZINC000028398416 324440007 /nfs/dbraw/zinc/44/00/07/324440007.db2.gz VBUISFSGMOTETJ-MRXNPFEDSA-N 1 2 357.454 2.239 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000083066957 325212535 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FEAELO CCc1noc([C@@H](C)N2CC[NH+]([C@H](C)C(=O)NC(CC)CC)CC2)n1 ZINC000106137712 325585790 /nfs/dbraw/zinc/58/57/90/325585790.db2.gz SMSFCABTYWYFGA-ZIAGYGMSSA-N 1 2 351.495 2.004 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc3c1O[C@H](C)C(=O)N3)C2 ZINC000112668319 325797666 /nfs/dbraw/zinc/79/76/66/325797666.db2.gz GMSIVJBNHFIFPH-GFCCVEGCSA-N 1 2 368.437 2.461 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 ZINC000112670490 325797881 /nfs/dbraw/zinc/79/78/81/325797881.db2.gz PSJFPSUCKAOAIR-UHFFFAOYSA-N 1 2 350.463 2.295 10 0 FEAELO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c[nH+]1 ZINC000116421473 326013664 /nfs/dbraw/zinc/01/36/64/326013664.db2.gz SEWRABJYEFCMDJ-MRXNPFEDSA-N 1 2 356.474 2.360 10 0 FEAELO C[C@@H](CNC(=O)Nc1nnc(/C=C/c2ccco2)s1)[NH+]1CCOCC1 ZINC000119303008 326147005 /nfs/dbraw/zinc/14/70/05/326147005.db2.gz OHZMGXFJQBJURZ-ITKZLYELSA-N 1 2 363.443 2.144 10 0 FEAELO CCOc1cc(C)nc(N2CCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)n1 ZINC000119726863 326192122 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COc1ccccc1[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000132729983 326597238 /nfs/dbraw/zinc/59/72/38/326597238.db2.gz OHDBLVFCGWAFGR-HNAYVOBHSA-N 1 2 373.453 2.398 10 0 FEAELO CC(C)(C)c1nnc(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)s1 ZINC000137193259 326658777 /nfs/dbraw/zinc/65/87/77/326658777.db2.gz TYONCOCDCCBTDD-UHFFFAOYSA-N 1 2 362.503 2.383 10 0 FEAELO CN(CC1CC1)C(=O)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152900827 326719135 /nfs/dbraw/zinc/71/91/35/326719135.db2.gz WRCUQZSPIXUEKH-UHFFFAOYSA-N 1 2 368.481 2.328 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NO[C@@H]3CCCCO3)CC2)cs1 ZINC000166888251 327083005 /nfs/dbraw/zinc/08/30/05/327083005.db2.gz NDYVDJFWAPEQLP-OAHLLOKOSA-N 1 2 354.476 2.127 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NO[C@@H]3CCCCO3)CC2)cs1 ZINC000166888251 327083008 /nfs/dbraw/zinc/08/30/08/327083008.db2.gz NDYVDJFWAPEQLP-OAHLLOKOSA-N 1 2 354.476 2.127 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cnc4c(c3)c(C)nn4C)CC2)n1 ZINC000170942634 327108907 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FEAELO COc1ccc(Cl)cc1NCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756011 327217222 /nfs/dbraw/zinc/21/72/22/327217222.db2.gz LJHBZTFITWQMMC-OAHLLOKOSA-N 1 2 367.877 2.084 10 0 FEAELO CC(C)CC(=O)Nc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1F ZINC000173067765 327233233 /nfs/dbraw/zinc/23/32/33/327233233.db2.gz TYCHWWAJHSHTTG-AWEZNQCLSA-N 1 2 365.449 2.261 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCOCc2ccccc2)nc[nH+]1 ZINC000173421968 327255243 /nfs/dbraw/zinc/25/52/43/327255243.db2.gz WHGKDHIVZUJJBB-QGZVFWFLSA-N 1 2 369.469 2.210 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCOCc2ccccc2)[nH+]cn1 ZINC000173421968 327255245 /nfs/dbraw/zinc/25/52/45/327255245.db2.gz WHGKDHIVZUJJBB-QGZVFWFLSA-N 1 2 369.469 2.210 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCCOc2ccccc2)nc[nH+]1 ZINC000173424099 327255516 /nfs/dbraw/zinc/25/55/16/327255516.db2.gz RVFIVGLJLMRQIU-MRXNPFEDSA-N 1 2 369.469 2.463 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCCOc2ccccc2)[nH+]cn1 ZINC000173424099 327255517 /nfs/dbraw/zinc/25/55/17/327255517.db2.gz RVFIVGLJLMRQIU-MRXNPFEDSA-N 1 2 369.469 2.463 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)c(F)c(F)c2)nc[nH+]1 ZINC000173422895 327255599 /nfs/dbraw/zinc/25/55/99/327255599.db2.gz SKWTYKLJMRAFET-NSHDSACASA-N 1 2 365.359 2.334 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)c(F)c(F)c2)[nH+]cn1 ZINC000173422895 327255600 /nfs/dbraw/zinc/25/56/00/327255600.db2.gz SKWTYKLJMRAFET-NSHDSACASA-N 1 2 365.359 2.334 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(F)ccc2OC)nc[nH+]1 ZINC000173430952 327256384 /nfs/dbraw/zinc/25/63/84/327256384.db2.gz PSMFKQGJZYAZCM-CYBMUJFWSA-N 1 2 359.405 2.065 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(F)ccc2OC)[nH+]cn1 ZINC000173430952 327256386 /nfs/dbraw/zinc/25/63/86/327256386.db2.gz PSMFKQGJZYAZCM-CYBMUJFWSA-N 1 2 359.405 2.065 10 0 FEAELO CCS[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000173447684 327257737 /nfs/dbraw/zinc/25/77/37/327257737.db2.gz AGPZFCYIMAHUGY-CZUORRHYSA-N 1 2 351.520 2.381 10 0 FEAELO CCS[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000173447684 327257738 /nfs/dbraw/zinc/25/77/38/327257738.db2.gz AGPZFCYIMAHUGY-CZUORRHYSA-N 1 2 351.520 2.381 10 0 FEAELO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000173627415 327272013 /nfs/dbraw/zinc/27/20/13/327272013.db2.gz XAZZYOSTLIUBSL-CVEARBPZSA-N 1 2 371.485 2.157 10 0 FEAELO C[C@@H](OCCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173769318 327282741 /nfs/dbraw/zinc/28/27/41/327282741.db2.gz UVHUGSIROLEERO-MJGOQNOKSA-N 1 2 361.486 2.270 10 0 FEAELO CCOc1ccc(C(=O)CCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173813326 327286038 /nfs/dbraw/zinc/28/60/38/327286038.db2.gz VBEXFTRPCSEBSZ-QFBILLFUSA-N 1 2 374.481 2.227 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccnc2SC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000173824065 327286640 /nfs/dbraw/zinc/28/66/40/327286640.db2.gz IKJCMMVFDFLJJY-YPMHNXCESA-N 1 2 357.426 2.189 10 0 FEAELO Cc1cc(-n2c(C)cc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2C)no1 ZINC000173829058 327287113 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354.450 2.398 10 0 FEAELO CC[C@H](O)CN1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000174070323 327304543 /nfs/dbraw/zinc/30/45/43/327304543.db2.gz QGMYQCJOQBBPIQ-INIZCTEOSA-N 1 2 364.877 2.321 10 0 FEAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174307559 327318507 /nfs/dbraw/zinc/31/85/07/327318507.db2.gz VUFMKIMUXFHPDP-MRXNPFEDSA-N 1 2 351.414 2.011 10 0 FEAELO COc1ccc(-c2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)cc1 ZINC000174749945 327348441 /nfs/dbraw/zinc/34/84/41/327348441.db2.gz UPFORIZEOKECAX-HXUWFJFHSA-N 1 2 369.465 2.492 10 0 FEAELO COc1ccc(-c2ccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)cc1 ZINC000174749945 327348442 /nfs/dbraw/zinc/34/84/42/327348442.db2.gz UPFORIZEOKECAX-HXUWFJFHSA-N 1 2 369.465 2.492 10 0 FEAELO CC[C@@H](COC)NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000174910471 327360422 /nfs/dbraw/zinc/36/04/22/327360422.db2.gz WUVMTIYOTPWTDW-GJZGRUSLSA-N 1 2 355.504 2.188 10 0 FEAELO CC[C@H](COC)NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000174910492 327360444 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CC(C)n1nccc1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176087805 546404644 /nfs/dbraw/zinc/40/46/44/546404644.db2.gz UADQHZQNRUQISD-AWEZNQCLSA-N 1 2 366.425 2.466 10 0 FEAELO COc1ncccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000176586378 546465224 /nfs/dbraw/zinc/46/52/24/546465224.db2.gz RMWSKJVOILYGTO-ZFWWWQNUSA-N 1 2 361.467 2.344 10 0 FEAELO COc1ncccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000176586378 546465227 /nfs/dbraw/zinc/46/52/27/546465227.db2.gz RMWSKJVOILYGTO-ZFWWWQNUSA-N 1 2 361.467 2.344 10 0 FEAELO CCOCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176586861 546465249 /nfs/dbraw/zinc/46/52/49/546465249.db2.gz FYSHKMSFXLBGFZ-OAGGEKHMSA-N 1 2 370.515 2.068 10 0 FEAELO CCOCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176586861 546465253 /nfs/dbraw/zinc/46/52/53/546465253.db2.gz FYSHKMSFXLBGFZ-OAGGEKHMSA-N 1 2 370.515 2.068 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NCCc2ccccn2)[NH+]2CCOCC2)s1 ZINC000176926838 546508930 /nfs/dbraw/zinc/50/89/30/546508930.db2.gz VVYWITLFBYXSSI-KRWDZBQOSA-N 1 2 374.510 2.367 10 0 FEAELO CCC[C@@H]1CN(Cc2nnc(C)n2CC)CC[N@@H+]1Cc1nnc(C)n1CC ZINC000177136633 546553128 /nfs/dbraw/zinc/55/31/28/546553128.db2.gz SOOUNTJCDQOUDO-QGZVFWFLSA-N 1 2 374.537 2.013 10 0 FEAELO CCC[C@@H]1CN(Cc2nnc(C)n2CC)CC[N@H+]1Cc1nnc(C)n1CC ZINC000177136633 546553131 /nfs/dbraw/zinc/55/31/31/546553131.db2.gz SOOUNTJCDQOUDO-QGZVFWFLSA-N 1 2 374.537 2.013 10 0 FEAELO Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177279860 546585944 /nfs/dbraw/zinc/58/59/44/546585944.db2.gz GYRNCUWUZNWGGW-CXAGYDPISA-N 1 2 351.878 2.239 10 0 FEAELO Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177279842 546586163 /nfs/dbraw/zinc/58/61/63/546586163.db2.gz GYRNCUWUZNWGGW-SUMWQHHRSA-N 1 2 351.878 2.239 10 0 FEAELO O=C(N[C@H]1CCCn2ncnc21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000177381336 546605325 /nfs/dbraw/zinc/60/53/25/546605325.db2.gz MIDSZGQQPGRJKV-INIZCTEOSA-N 1 2 374.876 2.294 10 0 FEAELO CCc1nnc(-c2ccc(NC(=O)NC[C@H](C)[NH+]3CCOCC3)cc2)o1 ZINC000177480675 546627194 /nfs/dbraw/zinc/62/71/94/546627194.db2.gz ROFDFPSODITXRN-ZDUSSCGKSA-N 1 2 359.430 2.141 10 0 FEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000177594005 546650302 /nfs/dbraw/zinc/65/03/02/546650302.db2.gz FDGJAINXQLLHSU-KRWDZBQOSA-N 1 2 369.469 2.212 10 0 FEAELO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177788220 546686955 /nfs/dbraw/zinc/68/69/55/546686955.db2.gz BAKDRCRKGMPIIN-CZUORRHYSA-N 1 2 360.845 2.346 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)[C@H](O)c2ccccc2)[NH+]2CCOCC2)s1 ZINC000177969780 546715236 /nfs/dbraw/zinc/71/52/36/546715236.db2.gz LMBHDETVJMMNET-SJLPKXTDSA-N 1 2 360.479 2.280 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cnc(N3CCOCC3)s1)C2 ZINC000179555956 546977362 /nfs/dbraw/zinc/97/73/62/546977362.db2.gz ZDCPASDTWGRXIM-UHFFFAOYSA-N 1 2 361.515 2.395 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cnc(C)nc3C)CC2)cn1 ZINC000180282593 547078930 /nfs/dbraw/zinc/07/89/30/547078930.db2.gz JINNKPLDUUFPPK-UHFFFAOYSA-N 1 2 356.474 2.048 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cnc(C)nc3C)CC2)cn1 ZINC000180282593 547078934 /nfs/dbraw/zinc/07/89/34/547078934.db2.gz JINNKPLDUUFPPK-UHFFFAOYSA-N 1 2 356.474 2.048 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC000181016995 547231056 /nfs/dbraw/zinc/23/10/56/547231056.db2.gz BYAJLIDNHNIJHI-CQSZACIVSA-N 1 2 368.428 2.407 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC000181016995 547231061 /nfs/dbraw/zinc/23/10/61/547231061.db2.gz BYAJLIDNHNIJHI-CQSZACIVSA-N 1 2 368.428 2.407 10 0 FEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000183060607 547594040 /nfs/dbraw/zinc/59/40/40/547594040.db2.gz CPAJHGVPXNVVOG-SFHVURJKSA-N 1 2 351.458 2.409 10 0 FEAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000183060607 547594045 /nfs/dbraw/zinc/59/40/45/547594045.db2.gz CPAJHGVPXNVVOG-SFHVURJKSA-N 1 2 351.458 2.409 10 0 FEAELO CCCCn1cc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C)n1 ZINC000184875722 547891527 /nfs/dbraw/zinc/89/15/27/547891527.db2.gz NDSKRQIGIKBJJV-HXUWFJFHSA-N 1 2 370.497 2.483 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3nc4cccnc4s3)CC2)cn1 ZINC000193940698 548409683 /nfs/dbraw/zinc/40/96/83/548409683.db2.gz ZIHSXCGIQVOPHL-UHFFFAOYSA-N 1 2 370.482 2.256 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3nc4cccnc4s3)CC2)cn1 ZINC000193940698 548409689 /nfs/dbraw/zinc/40/96/89/548409689.db2.gz ZIHSXCGIQVOPHL-UHFFFAOYSA-N 1 2 370.482 2.256 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000194603181 548504028 /nfs/dbraw/zinc/50/40/28/548504028.db2.gz MZICQEOWJULHIT-ZDUSSCGKSA-N 1 2 369.252 2.240 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000194603181 548504031 /nfs/dbraw/zinc/50/40/31/548504031.db2.gz MZICQEOWJULHIT-ZDUSSCGKSA-N 1 2 369.252 2.240 10 0 FEAELO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C)C2)n1 ZINC000195090449 548576262 /nfs/dbraw/zinc/57/62/62/548576262.db2.gz ACXVHNLGSDNIAC-HNNXBMFYSA-N 1 2 354.458 2.247 10 0 FEAELO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C)C2)n1 ZINC000195090449 548576264 /nfs/dbraw/zinc/57/62/64/548576264.db2.gz ACXVHNLGSDNIAC-HNNXBMFYSA-N 1 2 354.458 2.247 10 0 FEAELO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195360793 548630264 /nfs/dbraw/zinc/63/02/64/548630264.db2.gz AEDXUVOYRMXBPB-XJKSGUPXSA-N 1 2 371.462 2.327 10 0 FEAELO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195360793 548630269 /nfs/dbraw/zinc/63/02/69/548630269.db2.gz AEDXUVOYRMXBPB-XJKSGUPXSA-N 1 2 371.462 2.327 10 0 FEAELO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505581 548651547 /nfs/dbraw/zinc/65/15/47/548651547.db2.gz PVXDIHMEYYDCBA-KRWDZBQOSA-N 1 2 367.497 2.326 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000245202549 548900936 /nfs/dbraw/zinc/90/09/36/548900936.db2.gz ZWXUKIGDMAPRJM-CVEARBPZSA-N 1 2 361.486 2.253 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000245202549 548900940 /nfs/dbraw/zinc/90/09/40/548900940.db2.gz ZWXUKIGDMAPRJM-CVEARBPZSA-N 1 2 361.486 2.253 10 0 FEAELO C[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000245411276 548910469 /nfs/dbraw/zinc/91/04/69/548910469.db2.gz WDCLLDOUCBTVMJ-IAGOWNOFSA-N 1 2 365.543 2.454 10 0 FEAELO C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000245411276 548910475 /nfs/dbraw/zinc/91/04/75/548910475.db2.gz WDCLLDOUCBTVMJ-IAGOWNOFSA-N 1 2 365.543 2.454 10 0 FEAELO C[C@H](CNC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCOCC1 ZINC000245514352 548936854 /nfs/dbraw/zinc/93/68/54/548936854.db2.gz PHNVWJIUANLXIN-LMMKCTJWSA-N 1 2 361.486 2.174 10 0 FEAELO c1cnn(C[C@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000245598018 548954871 /nfs/dbraw/zinc/95/48/71/548954871.db2.gz HZNXXOQJJZXWOY-WOJBJXKFSA-N 1 2 357.454 2.342 10 0 FEAELO c1cnn(C[C@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000245598018 548954874 /nfs/dbraw/zinc/95/48/74/548954874.db2.gz HZNXXOQJJZXWOY-WOJBJXKFSA-N 1 2 357.454 2.342 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000245610311 548957264 /nfs/dbraw/zinc/95/72/64/548957264.db2.gz AXHPXBPUJVQYKX-DOMZBBRYSA-N 1 2 353.850 2.184 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000245610311 548957268 /nfs/dbraw/zinc/95/72/68/548957268.db2.gz AXHPXBPUJVQYKX-DOMZBBRYSA-N 1 2 353.850 2.184 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCC[C@](C)(O)C2)c2cccs2)CCO1 ZINC000245937851 549024979 /nfs/dbraw/zinc/02/49/79/549024979.db2.gz QKIACQCLQSDGDF-RKVPGOIHSA-N 1 2 367.515 2.066 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCC[C@](C)(O)C2)c2cccs2)CCO1 ZINC000245937851 549024984 /nfs/dbraw/zinc/02/49/84/549024984.db2.gz QKIACQCLQSDGDF-RKVPGOIHSA-N 1 2 367.515 2.066 10 0 FEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246289177 549097599 /nfs/dbraw/zinc/09/75/99/549097599.db2.gz AXQDSFAIJWKPJM-XNJGSVPQSA-N 1 2 369.868 2.459 10 0 FEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246289177 549097603 /nfs/dbraw/zinc/09/76/03/549097603.db2.gz AXQDSFAIJWKPJM-XNJGSVPQSA-N 1 2 369.868 2.459 10 0 FEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246289177 549097609 /nfs/dbraw/zinc/09/76/09/549097609.db2.gz AXQDSFAIJWKPJM-XNJGSVPQSA-N 1 2 369.868 2.459 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000246353413 549112067 /nfs/dbraw/zinc/11/20/67/549112067.db2.gz GBQQFGYZYMADSU-CZUORRHYSA-N 1 2 371.403 2.296 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000246449576 549134608 /nfs/dbraw/zinc/13/46/08/549134608.db2.gz MPGLUKFHLJRATP-LXTVHRRPSA-N 1 2 355.504 2.147 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000246449537 549135018 /nfs/dbraw/zinc/13/50/18/549135018.db2.gz MPGLUKFHLJRATP-GBJTYRQASA-N 1 2 355.504 2.147 10 0 FEAELO CCOc1ccc(-c2noc(CN3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2)cc1 ZINC000246480339 549142656 /nfs/dbraw/zinc/14/26/56/549142656.db2.gz OQKLTLIHQZAAQH-YJBOKZPZSA-N 1 2 372.469 2.288 10 0 FEAELO CC[C@@H]1CN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC[N@@H+]1CCOC ZINC000246940879 549246885 /nfs/dbraw/zinc/24/68/85/549246885.db2.gz BAKMMLWJCRATAA-NVXWUHKLSA-N 1 2 363.502 2.448 10 0 FEAELO CC[C@@H]1CN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC[N@H+]1CCOC ZINC000246940879 549246887 /nfs/dbraw/zinc/24/68/87/549246887.db2.gz BAKMMLWJCRATAA-NVXWUHKLSA-N 1 2 363.502 2.448 10 0 FEAELO O=C1NCC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000247055497 549273625 /nfs/dbraw/zinc/27/36/25/549273625.db2.gz LPAUPYLDLDTFIG-MOPGFXCFSA-N 1 2 374.868 2.391 10 0 FEAELO O=C1NCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000247055497 549273626 /nfs/dbraw/zinc/27/36/26/549273626.db2.gz LPAUPYLDLDTFIG-MOPGFXCFSA-N 1 2 374.868 2.391 10 0 FEAELO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3nnnn3-c3ccccc3)CC2)nn1 ZINC000247739944 549376273 /nfs/dbraw/zinc/37/62/73/549376273.db2.gz NLSDAVHQHQBYHW-MRXNPFEDSA-N 1 2 364.457 2.034 10 0 FEAELO Cc1ccc(N2CCC[N@H+]([C@H](C)c3nnnn3-c3ccccc3)CC2)nn1 ZINC000247739944 549376277 /nfs/dbraw/zinc/37/62/77/549376277.db2.gz NLSDAVHQHQBYHW-MRXNPFEDSA-N 1 2 364.457 2.034 10 0 FEAELO CCc1c(C(=O)CN2CC[N@H+](CCOC)[C@@H](CC)C2)[nH]c(C)c1C(C)=O ZINC000247774081 549378620 /nfs/dbraw/zinc/37/86/20/549378620.db2.gz QAQTUICIKFKZDX-INIZCTEOSA-N 1 2 363.502 2.313 10 0 FEAELO CCc1c(C(=O)CN2CC[N@@H+](CCOC)[C@@H](CC)C2)[nH]c(C)c1C(C)=O ZINC000247774081 549378624 /nfs/dbraw/zinc/37/86/24/549378624.db2.gz QAQTUICIKFKZDX-INIZCTEOSA-N 1 2 363.502 2.313 10 0 FEAELO CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000248370756 549422384 /nfs/dbraw/zinc/42/23/84/549422384.db2.gz XXFPJKZZEFVPSY-ZJIFWQFVSA-N 1 2 369.531 2.216 10 0 FEAELO CC[C@H](C)[C@H](O)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000248370756 549422389 /nfs/dbraw/zinc/42/23/89/549422389.db2.gz XXFPJKZZEFVPSY-ZJIFWQFVSA-N 1 2 369.531 2.216 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2C[S@@](C)=O)C[C@@H]1C ZINC000248391150 549426192 /nfs/dbraw/zinc/42/61/92/549426192.db2.gz CTRVLDFZWVPSEW-ODCWNRFASA-N 1 2 367.515 2.140 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2C[S@@](C)=O)C[C@@H]1C ZINC000248391150 549426197 /nfs/dbraw/zinc/42/61/97/549426197.db2.gz CTRVLDFZWVPSEW-ODCWNRFASA-N 1 2 367.515 2.140 10 0 FEAELO C[C@H](c1nnnn1C1CC1)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000248903014 549525433 /nfs/dbraw/zinc/52/54/33/549525433.db2.gz VWUMRCFKOMROKQ-UKRRQHHQSA-N 1 2 362.503 2.136 10 0 FEAELO C[C@H](c1nnnn1C1CC1)[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248903014 549525439 /nfs/dbraw/zinc/52/54/39/549525439.db2.gz VWUMRCFKOMROKQ-UKRRQHHQSA-N 1 2 362.503 2.136 10 0 FEAELO C[C@H](c1nnnn1C1CC1)[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248903014 549525441 /nfs/dbraw/zinc/52/54/41/549525441.db2.gz VWUMRCFKOMROKQ-UKRRQHHQSA-N 1 2 362.503 2.136 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000249713325 549618719 /nfs/dbraw/zinc/61/87/19/549618719.db2.gz GNXVYTNMDCFOGP-XKQJLSEDSA-N 1 2 366.408 2.387 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000249713325 549618722 /nfs/dbraw/zinc/61/87/22/549618722.db2.gz GNXVYTNMDCFOGP-XKQJLSEDSA-N 1 2 366.408 2.387 10 0 FEAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)NCc1ccc(N2CCCC2=O)cc1 ZINC000249734670 549620771 /nfs/dbraw/zinc/62/07/71/549620771.db2.gz VPHVAHXSIHXCDG-MOPGFXCFSA-N 1 2 371.481 2.073 10 0 FEAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)NCc1ccc(N2CCCC2=O)cc1 ZINC000249734670 549620773 /nfs/dbraw/zinc/62/07/73/549620773.db2.gz VPHVAHXSIHXCDG-MOPGFXCFSA-N 1 2 371.481 2.073 10 0 FEAELO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000252352417 549663221 /nfs/dbraw/zinc/66/32/21/549663221.db2.gz BXTDVKXVLPKDAJ-JKSUJKDBSA-N 1 2 361.486 2.259 10 0 FEAELO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000252352417 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354.863 2.075 10 0 FEAELO O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000093908004 542945023 /nfs/dbraw/zinc/94/50/23/542945023.db2.gz BBUMQZFUBGIMHD-LLVKDONJSA-N 1 2 354.863 2.075 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000101563524 543033302 /nfs/dbraw/zinc/03/33/02/543033302.db2.gz HBQOBUNMXMETDR-QGZVFWFLSA-N 1 2 367.534 2.223 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000101563524 543033305 /nfs/dbraw/zinc/03/33/05/543033305.db2.gz HBQOBUNMXMETDR-QGZVFWFLSA-N 1 2 367.534 2.223 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000104798363 543145550 /nfs/dbraw/zinc/14/55/50/543145550.db2.gz CBOFNYGZPWSKRC-LSDHHAIUSA-N 1 2 358.442 2.047 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000104798363 543145552 /nfs/dbraw/zinc/14/55/52/543145552.db2.gz CBOFNYGZPWSKRC-LSDHHAIUSA-N 1 2 358.442 2.047 10 0 FEAELO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)sc1C ZINC000106069390 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Cc1cnn(C[C@@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)C(C)C)CCO2)c1 ZINC000106197362 543217007 /nfs/dbraw/zinc/21/70/07/543217007.db2.gz FFMILEAEPXPYBQ-FQEVSTJZSA-N 1 2 370.497 2.330 10 0 FEAELO C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000108947058 543309071 /nfs/dbraw/zinc/30/90/71/543309071.db2.gz GRBTWUWZNBABNJ-PBHICJAKSA-N 1 2 356.426 2.209 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3c(Cl)nc4ccccn43)CC2)cn1 ZINC000109659549 543332656 /nfs/dbraw/zinc/33/26/56/543332656.db2.gz HHTAKFQGKJCKGT-UHFFFAOYSA-N 1 2 372.860 2.069 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3c(Cl)nc4ccccn43)CC2)cn1 ZINC000109659549 543332657 /nfs/dbraw/zinc/33/26/57/543332657.db2.gz HHTAKFQGKJCKGT-UHFFFAOYSA-N 1 2 372.860 2.069 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCNC(=O)Cc1ccccc1)C2 ZINC000112666115 543456510 /nfs/dbraw/zinc/45/65/10/543456510.db2.gz YVONVZFRDYYJJH-UHFFFAOYSA-N 1 2 368.481 2.177 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000114321965 543509623 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ZINC000187370254 328020259 /nfs/dbraw/zinc/02/02/59/328020259.db2.gz NIRNAVQPKPWUTQ-DLBZAZTESA-N 1 2 356.470 2.480 10 0 FEAELO CCn1cc([C@H]2CN(C(=O)NCc3cn4c(cccc4C)[nH+]3)CCO2)cn1 ZINC000188799605 328111467 /nfs/dbraw/zinc/11/14/67/328111467.db2.gz BKGVNLJDLKIVIM-QGZVFWFLSA-N 1 2 368.441 2.142 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189190603 328134002 /nfs/dbraw/zinc/13/40/02/328134002.db2.gz PFKOYDHVTZYZAD-UHFFFAOYSA-N 1 2 366.403 2.072 10 0 FEAELO O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190122321 328189436 /nfs/dbraw/zinc/18/94/36/328189436.db2.gz SNVJWGJFBUYUMB-HZPDHXFCSA-N 1 2 367.371 2.497 10 0 FEAELO Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CCO[C@H](Cn4cccn4)C3)C2=O)c(C)c1 ZINC000190526502 328214106 /nfs/dbraw/zinc/21/41/06/328214106.db2.gz DAZHNVPTOVWZPR-RBUKOAKNSA-N 1 2 368.481 2.315 10 0 FEAELO Cc1cc(C)c(N2CC[C@@H]([N@H+]3CCO[C@H](Cn4cccn4)C3)C2=O)c(C)c1 ZINC000190526502 328214107 /nfs/dbraw/zinc/21/41/07/328214107.db2.gz 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CC(=O)CCCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191585843 328272763 /nfs/dbraw/zinc/27/27/63/328272763.db2.gz KKMVTSZDUZJOIF-INIZCTEOSA-N 1 2 354.491 2.400 10 0 FEAELO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191986282 328292084 /nfs/dbraw/zinc/29/20/84/328292084.db2.gz DMVLTQJUSMMECL-HUUCEWRRSA-N 1 2 355.523 2.028 10 0 FEAELO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191986282 328292085 /nfs/dbraw/zinc/29/20/85/328292085.db2.gz DMVLTQJUSMMECL-HUUCEWRRSA-N 1 2 355.523 2.028 10 0 FEAELO CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000192386217 328317225 /nfs/dbraw/zinc/31/72/25/328317225.db2.gz DQAFJRFSRZWWNJ-INIZCTEOSA-N 1 2 352.500 2.475 10 0 FEAELO CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000192386217 328317226 /nfs/dbraw/zinc/31/72/26/328317226.db2.gz DQAFJRFSRZWWNJ-INIZCTEOSA-N 1 2 352.500 2.475 10 0 FEAELO O=C(c1nc2cccnc2s1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000193938334 328402926 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Cn1cc([C@@H]2CC[N@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C2)cn1 ZINC000116310858 326005690 /nfs/dbraw/zinc/00/56/90/326005690.db2.gz MLZXAIKUCCJWGQ-CYBMUJFWSA-N 1 2 355.410 2.406 10 0 FEAELO Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C2)cn1 ZINC000116310858 326005692 /nfs/dbraw/zinc/00/56/92/326005692.db2.gz MLZXAIKUCCJWGQ-CYBMUJFWSA-N 1 2 355.410 2.406 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC[N@@H+]1CCOC ZINC000117305080 326055755 /nfs/dbraw/zinc/05/57/55/326055755.db2.gz IEXOQIQJLRBNTG-MRXNPFEDSA-N 1 2 360.433 2.399 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC[N@H+]1CCOC ZINC000117305080 326055758 /nfs/dbraw/zinc/05/57/58/326055758.db2.gz IEXOQIQJLRBNTG-MRXNPFEDSA-N 1 2 360.433 2.399 10 0 FEAELO C[C@@H](CNC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1)[NH+]1CCOCC1 ZINC000117958525 326075295 /nfs/dbraw/zinc/07/52/95/326075295.db2.gz AYYONOKCJAMCFL-LPHOPBHVSA-N 1 2 360.502 2.320 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000118999252 326116938 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O=C(COCc1ccccc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000170948264 327109549 /nfs/dbraw/zinc/10/95/49/327109549.db2.gz RFXNMZQQYKVGTO-FQEVSTJZSA-N 1 2 354.450 2.081 10 0 FEAELO CC(C)n1cc[nH+]c1CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000170957944 327110005 /nfs/dbraw/zinc/11/00/05/327110005.db2.gz ICQKNCXWYBSNIQ-GOSISDBHSA-N 1 2 370.453 2.090 10 0 FEAELO Cc1cc(C)n(C[C@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CCO2)n1 ZINC000170999876 327111733 /nfs/dbraw/zinc/11/17/33/327111733.db2.gz UYQHHBTZHFMFAN-MAUKXSAKSA-N 1 2 370.501 2.432 10 0 FEAELO Cc1cc(C)n(C[C@H]2CN(c3cc(N4CCC[C@H](C)C4)nc[nH+]3)CCO2)n1 ZINC000170999876 327111734 /nfs/dbraw/zinc/11/17/34/327111734.db2.gz UYQHHBTZHFMFAN-MAUKXSAKSA-N 1 2 370.501 2.432 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)C1 ZINC000171287710 327129667 /nfs/dbraw/zinc/12/96/67/327129667.db2.gz GUQKMOCJVHKDCR-AWEZNQCLSA-N 1 2 374.387 2.256 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(F)c(F)c2)C1 ZINC000171287710 327129669 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COCC[N@H+]1CCN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1C ZINC000172222805 327188042 /nfs/dbraw/zinc/18/80/42/327188042.db2.gz IZTBWDIWFIXNFV-LLVKDONJSA-N 1 2 368.528 2.217 10 0 FEAELO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCn3cc(C)cn3)CC2)c1 ZINC000172292314 327193279 /nfs/dbraw/zinc/19/32/79/327193279.db2.gz IEUKDKOIZMQHHD-QGZVFWFLSA-N 1 2 371.485 2.289 10 0 FEAELO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172745197 327216492 /nfs/dbraw/zinc/21/64/92/327216492.db2.gz LIYSKGWONWOWQK-GOEBONIOSA-N 1 2 352.862 2.349 10 0 FEAELO Cc1cc(O[C@@H](C)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000172759886 327217511 /nfs/dbraw/zinc/21/75/11/327217511.db2.gz FDKXGXINFCZXGU-GJZGRUSLSA-N 1 2 352.862 2.349 10 0 FEAELO CC(C)N1CC[C@H](NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000173248450 327244122 /nfs/dbraw/zinc/24/41/22/327244122.db2.gz BAXAFGRBFCMYPA-PBHICJAKSA-N 1 2 355.442 2.242 10 0 FEAELO C[C@@H]1CN(C(=O)[C@H]2SCCc3sccc32)C[C@H]1[NH+]1CCOCC1 ZINC000173405776 327253867 /nfs/dbraw/zinc/25/38/67/327253867.db2.gz ZHKUEBNXVQJPPG-XPKDYRNWSA-N 1 2 352.525 2.258 10 0 FEAELO C[C@H](CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(=O)c1cccc(F)c1 ZINC000173417612 327255015 /nfs/dbraw/zinc/25/50/15/327255015.db2.gz POVJCZYYPTVAJD-RVKKMQEKSA-N 1 2 362.445 2.214 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)c2ccc(Cl)cc2)nc[nH+]1 ZINC000173422701 327255498 /nfs/dbraw/zinc/25/54/98/327255498.db2.gz ZLDGHQFAPYPLJT-CQSZACIVSA-N 1 2 373.844 2.140 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)c2ccc(Cl)cc2)[nH+]cn1 ZINC000173422701 327255499 /nfs/dbraw/zinc/25/54/99/327255499.db2.gz ZLDGHQFAPYPLJT-CQSZACIVSA-N 1 2 373.844 2.140 10 0 FEAELO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000173424425 327255526 /nfs/dbraw/zinc/25/55/26/327255526.db2.gz NMFOZHHEXFNXAN-AWEZNQCLSA-N 1 2 352.504 2.005 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)c2ccc(F)cc2)nc[nH+]1 ZINC000173422597 327255650 /nfs/dbraw/zinc/25/56/50/327255650.db2.gz ZNHAJJHWFIALKS-HNNXBMFYSA-N 1 2 358.421 2.472 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)c2ccc(F)cc2)[nH+]cn1 ZINC000173422597 327255652 /nfs/dbraw/zinc/25/56/52/327255652.db2.gz ZNHAJJHWFIALKS-HNNXBMFYSA-N 1 2 358.421 2.472 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)c2ccccn2)nc[nH+]1 ZINC000173427469 327255780 /nfs/dbraw/zinc/25/57/80/327255780.db2.gz HDNAFHPQYMAERD-LSDHHAIUSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@@H](C)c2ccccn2)[nH+]cn1 ZINC000173427469 327255781 /nfs/dbraw/zinc/25/57/81/327255781.db2.gz HDNAFHPQYMAERD-LSDHHAIUSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc(C)nc2C(C)C)nc[nH+]1 ZINC000173433381 327256550 /nfs/dbraw/zinc/25/65/50/327256550.db2.gz ZQHQXAKEPGMZBX-AWEZNQCLSA-N 1 2 369.473 2.139 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc(C)nc2C(C)C)[nH+]cn1 ZINC000173433381 327256552 /nfs/dbraw/zinc/25/65/52/327256552.db2.gz ZQHQXAKEPGMZBX-AWEZNQCLSA-N 1 2 369.473 2.139 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cccc(F)c2)nc[nH+]1 ZINC000173704884 327278336 /nfs/dbraw/zinc/27/83/36/327278336.db2.gz FFPYTNXHQQFIIK-HNNXBMFYSA-N 1 2 358.421 2.126 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2cccc(F)c2)[nH+]cn1 ZINC000173704884 327278337 /nfs/dbraw/zinc/27/83/37/327278337.db2.gz FFPYTNXHQQFIIK-HNNXBMFYSA-N 1 2 358.421 2.126 10 0 FEAELO CCCOCc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779666 327283578 /nfs/dbraw/zinc/28/35/78/327283578.db2.gz UHDTUBBOWFUWAE-LJQANCHMSA-N 1 2 361.486 2.229 10 0 FEAELO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000173795080 327284544 /nfs/dbraw/zinc/28/45/44/327284544.db2.gz YOJHECZCHWQTMZ-KRWDZBQOSA-N 1 2 369.469 2.428 10 0 FEAELO C[C@@H]1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000173810503 327285775 /nfs/dbraw/zinc/28/57/75/327285775.db2.gz GOEVZAHFNZLANA-KDOFPFPSSA-N 1 2 373.428 2.202 10 0 FEAELO CC(C)(C)NC(=O)c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173816290 327286112 /nfs/dbraw/zinc/28/61/12/327286112.db2.gz WPONTGVHHKROJL-QGZVFWFLSA-N 1 2 374.485 2.153 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000173873470 327290344 /nfs/dbraw/zinc/29/03/44/327290344.db2.gz HNKFNVJECBYCGA-SCLBCKFNSA-N 1 2 358.417 2.009 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCCc3occc32)nc[nH+]1 ZINC000173950879 327297100 /nfs/dbraw/zinc/29/71/00/327297100.db2.gz ZICKZQCNBVWSLW-UKRRQHHQSA-N 1 2 370.457 2.457 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCCc3occc32)[nH+]cn1 ZINC000173950879 327297102 /nfs/dbraw/zinc/29/71/02/327297102.db2.gz ZICKZQCNBVWSLW-UKRRQHHQSA-N 1 2 370.457 2.457 10 0 FEAELO CC(C)(C)[C@@H](NC(=O)CN1CC[C@H]([NH+]2CCOCC2)C1)c1cccs1 ZINC000173985452 327299584 /nfs/dbraw/zinc/29/95/84/327299584.db2.gz XJSNDLLHILOTSM-YJBOKZPZSA-N 1 2 365.543 2.358 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3C(C)=O)CC2)cn1 ZINC000174655185 327341629 /nfs/dbraw/zinc/34/16/29/327341629.db2.gz NFMMMOUWUBVXBS-UHFFFAOYSA-N 1 2 354.454 2.454 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccccc3C(C)=O)CC2)cn1 ZINC000174655185 327341631 /nfs/dbraw/zinc/34/16/31/327341631.db2.gz NFMMMOUWUBVXBS-UHFFFAOYSA-N 1 2 354.454 2.454 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)n1 ZINC000174783303 327350930 /nfs/dbraw/zinc/35/09/30/327350930.db2.gz VURQOPXUYXZDHO-BLLLJJGKSA-N 1 2 350.850 2.444 10 0 FEAELO COC(C)(C)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174951196 327363442 /nfs/dbraw/zinc/36/34/42/327363442.db2.gz DNJLXKCMZZYTOR-AWEZNQCLSA-N 1 2 355.504 2.154 10 0 FEAELO CCc1nnc2ccc(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)nn21 ZINC000175042514 327370526 /nfs/dbraw/zinc/37/05/26/327370526.db2.gz KVTHPFMBBFQZIN-CQSZACIVSA-N 1 2 372.498 2.258 10 0 FEAELO C[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)[NH+]1CCOCC1 ZINC000175371938 327389493 /nfs/dbraw/zinc/38/94/93/327389493.db2.gz NPMZMNITSDZYOF-OAGGEKHMSA-N 1 2 367.515 2.066 10 0 FEAELO CN(C)c1ccc(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC000176522109 327460588 /nfs/dbraw/zinc/46/05/88/327460588.db2.gz HNOXQLYPMIADFU-INIZCTEOSA-N 1 2 374.510 2.355 10 0 FEAELO C[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)[NH+]1CCOCC1 ZINC000246557487 328627278 /nfs/dbraw/zinc/62/72/78/328627278.db2.gz YWYUYDLCKLWCGM-NZSAHSFTSA-N 1 2 361.486 2.005 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2OC[C@H]2CCCO2)C[C@H]1[NH+]1CCOCC1 ZINC000246998762 328661303 /nfs/dbraw/zinc/66/13/03/328661303.db2.gz NTKFUIDDEUETKD-ZHALLVOQSA-N 1 2 374.481 2.037 10 0 FEAELO COc1ccc([C@@H]2CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)C2)cc1 ZINC000264640381 329043739 /nfs/dbraw/zinc/04/37/39/329043739.db2.gz FTDCJCQLHDTFFZ-SJORKVTESA-N 1 2 354.454 2.440 10 0 FEAELO COc1ccc([C@@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)cc1 ZINC000264640381 329043740 /nfs/dbraw/zinc/04/37/40/329043740.db2.gz FTDCJCQLHDTFFZ-SJORKVTESA-N 1 2 354.454 2.440 10 0 FEAELO Cn1nccc1C1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000156634810 545640843 /nfs/dbraw/zinc/64/08/43/545640843.db2.gz ZYRWRWTYRHAVJL-UHFFFAOYSA-N 1 2 368.485 2.373 10 0 FEAELO C[NH+](C)C[C@H](NC(=O)c1cc(S(C)(=O)=O)cs1)c1ccccc1 ZINC000157720701 545773283 /nfs/dbraw/zinc/77/32/83/545773283.db2.gz WCKNNKANFGIRPQ-AWEZNQCLSA-N 1 2 352.481 2.184 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3ccc(F)cc3)CC2)nc[nH+]1 ZINC000173425739 546281372 /nfs/dbraw/zinc/28/13/72/546281372.db2.gz XRFUIZURZDEQCB-INIZCTEOSA-N 1 2 369.444 2.474 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C2(c3ccc(F)cc3)CC2)[nH+]cn1 ZINC000173425739 546281377 /nfs/dbraw/zinc/28/13/77/546281377.db2.gz XRFUIZURZDEQCB-INIZCTEOSA-N 1 2 369.444 2.474 10 0 FEAELO CC[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)Oc1ccccc1Cl ZINC000175734261 546341050 /nfs/dbraw/zinc/34/10/50/546341050.db2.gz NKYSNDVOYMSGHG-KBPBESRZSA-N 1 2 355.866 2.127 10 0 FEAELO CC[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)Oc1ccccc1Cl ZINC000175734261 546341054 /nfs/dbraw/zinc/34/10/54/546341054.db2.gz NKYSNDVOYMSGHG-KBPBESRZSA-N 1 2 355.866 2.127 10 0 FEAELO C[C@H]1CN(C(=O)c2c(F)cccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000176952586 546514114 /nfs/dbraw/zinc/51/41/14/546514114.db2.gz WEGUQBFVLFZCMJ-SMDDNHRTSA-N 1 2 371.250 2.381 10 0 FEAELO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000176994459 546520557 /nfs/dbraw/zinc/52/05/57/546520557.db2.gz TUSLENOAPDBLLA-MRXNPFEDSA-N 1 2 362.389 2.276 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cn1 ZINC000177191938 546566392 /nfs/dbraw/zinc/56/63/92/546566392.db2.gz QKUGDWAMVYHNQR-INIZCTEOSA-N 1 2 368.572 2.176 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cn1 ZINC000177191938 546566395 /nfs/dbraw/zinc/56/63/95/546566395.db2.gz QKUGDWAMVYHNQR-INIZCTEOSA-N 1 2 368.572 2.176 10 0 FEAELO CCOc1ccc(-c2noc(CN3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000177227930 546574425 /nfs/dbraw/zinc/57/44/25/546574425.db2.gz OQKLTLIHQZAAQH-CRAIPNDOSA-N 1 2 372.469 2.288 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177258312 546580591 /nfs/dbraw/zinc/58/05/91/546580591.db2.gz FGRDURINVDUPAE-CJNGLKHVSA-N 1 2 371.403 2.296 10 0 FEAELO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1cccc(F)c1 ZINC000177382095 546605957 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CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccccc1OCC(=O)N(C)C ZINC000179726421 547004232 /nfs/dbraw/zinc/00/42/32/547004232.db2.gz NEMPZQXPYQBVNX-INIZCTEOSA-N 1 2 371.485 2.400 10 0 FEAELO COC1(CNC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)CCC1 ZINC000181524453 547329097 /nfs/dbraw/zinc/32/90/97/547329097.db2.gz RTXIRXNUNWVOMV-UHFFFAOYSA-N 1 2 352.504 2.238 10 0 FEAELO COC1(CNC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)CCC1 ZINC000181524453 547329102 /nfs/dbraw/zinc/32/91/02/547329102.db2.gz RTXIRXNUNWVOMV-UHFFFAOYSA-N 1 2 352.504 2.238 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCCCOC(C)C)CC1 ZINC000181928734 547407656 /nfs/dbraw/zinc/40/76/56/547407656.db2.gz KGNOJHVYJVCVSZ-UHFFFAOYSA-N 1 2 365.522 2.069 10 0 FEAELO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](NC(C)=O)C3)co2)cc1 ZINC000182067535 547432102 /nfs/dbraw/zinc/43/21/02/547432102.db2.gz JJGKQUQSAXALPG-MRXNPFEDSA-N 1 2 357.410 2.229 10 0 FEAELO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](NC(C)=O)C3)co2)cc1 ZINC000182067535 547432104 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O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000249800907 549629197 /nfs/dbraw/zinc/62/91/97/549629197.db2.gz AEDXUVOYRMXBPB-CJNGLKHVSA-N 1 2 371.462 2.327 10 0 FEAELO O=C1c2ccccc2C(=O)N1C[C@H](O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000249800907 549629200 /nfs/dbraw/zinc/62/92/00/549629200.db2.gz AEDXUVOYRMXBPB-CJNGLKHVSA-N 1 2 371.462 2.327 10 0 FEAELO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261699226 549744374 /nfs/dbraw/zinc/74/43/74/549744374.db2.gz IZMNYRJTMKXEFM-SJORKVTESA-N 1 2 357.502 2.304 10 0 FEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000262948879 549865412 /nfs/dbraw/zinc/86/54/12/549865412.db2.gz JIXLGMDHMNAOIF-AWEZNQCLSA-N 1 2 361.795 2.121 10 0 FEAELO O=C(NC1CCN(c2nc3ccccc3s2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262986382 549868300 /nfs/dbraw/zinc/86/83/00/549868300.db2.gz NFTPBTPOJYLGGP-CYBMUJFWSA-N 1 2 366.437 2.379 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000263020361 549871613 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FEAELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC000329794310 554007288 /nfs/dbraw/zinc/00/72/88/554007288.db2.gz VXEFEQHOWRTBBE-LBPRGKRZSA-N 1 2 350.426 2.264 10 0 FEAELO O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173730382 672354367 /nfs/dbraw/zinc/35/43/67/672354367.db2.gz WCLMATHXTJNBEO-SNVBAGLBSA-N 1 2 361.254 2.438 10 0 FEAELO Cc1nc(Br)ccc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181337720 672425464 /nfs/dbraw/zinc/42/54/64/672425464.db2.gz IUCIRNQFBKBGCD-LBPRGKRZSA-N 1 2 369.263 2.091 10 0 FEAELO COCC[N@H+]1CCN(C(=O)Nc2cnc(Br)c(C)c2)C[C@H]1C ZINC000182414539 672444577 /nfs/dbraw/zinc/44/45/77/672444577.db2.gz DDWQHYKNOFWYID-GFCCVEGCSA-N 1 2 371.279 2.337 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)Nc2cnc(Br)c(C)c2)C[C@H]1C ZINC000182414539 672444574 /nfs/dbraw/zinc/44/45/74/672444574.db2.gz DDWQHYKNOFWYID-GFCCVEGCSA-N 1 2 371.279 2.337 10 0 FEAELO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190910112 672654835 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362.861 2.217 10 0 FEAELO C[C@H](CNC(=O)c1cncs1)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000014985526 539609221 /nfs/dbraw/zinc/60/92/21/539609221.db2.gz DQNVHUZLAVEQHK-CQSZACIVSA-N 1 2 361.467 2.173 10 0 FEAELO COc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H]3CCCO3)CC2)cc1F ZINC000026402114 539786219 /nfs/dbraw/zinc/78/62/19/539786219.db2.gz AJWPKQPRHMDSPX-PBHICJAKSA-N 1 2 365.449 2.229 10 0 FEAELO CCCCOc1ccc(CCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000045894204 540233370 /nfs/dbraw/zinc/23/33/70/540233370.db2.gz YYGAAFRCNVZONG-QGZVFWFLSA-N 1 2 363.502 2.428 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1ccccn1)[NH+]1CCOCC1 ZINC000047984499 540337987 /nfs/dbraw/zinc/33/79/87/540337987.db2.gz XGGCFHZQPNDROW-LPHOPBHVSA-N 1 2 354.454 2.191 10 0 FEAELO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)Nc1ncc(Br)s1 ZINC000049644015 205174485 /nfs/dbraw/zinc/17/44/85/205174485.db2.gz HVCZJKDVCSZHNC-QMMMGPOBSA-N 1 2 354.295 2.180 10 0 FEAELO Cc1nc(N)ncc1C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067843128 205396036 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10 0 FEAELO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1Br ZINC000104777518 543142935 /nfs/dbraw/zinc/14/29/35/543142935.db2.gz HPWWKCKPSVORTO-NWDGAFQWSA-N 1 2 356.264 2.140 10 0 FEAELO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1Br ZINC000104777518 543142937 /nfs/dbraw/zinc/14/29/37/543142937.db2.gz HPWWKCKPSVORTO-NWDGAFQWSA-N 1 2 356.264 2.140 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC000105278863 543168521 /nfs/dbraw/zinc/16/85/21/543168521.db2.gz BJRBBADHGDICIZ-NSHDSACASA-N 1 2 366.368 2.288 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC000105278863 543168524 /nfs/dbraw/zinc/16/85/24/543168524.db2.gz BJRBBADHGDICIZ-NSHDSACASA-N 1 2 366.368 2.288 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000105281359 543169487 /nfs/dbraw/zinc/16/94/87/543169487.db2.gz JGOGXYWRGCJUFK-CYBMUJFWSA-N 1 2 354.401 2.017 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)C1 ZINC000105281359 543169488 /nfs/dbraw/zinc/16/94/88/543169488.db2.gz JGOGXYWRGCJUFK-CYBMUJFWSA-N 1 2 354.401 2.017 10 0 FEAELO Fc1ccc(-c2noc(C[N@@H+]3CCCN(c4cccnn4)CC3)n2)cc1 ZINC000106071553 543189333 /nfs/dbraw/zinc/18/93/33/543189333.db2.gz ZIUNKYZTPNGVCB-UHFFFAOYSA-N 1 2 354.389 2.378 10 0 FEAELO Fc1ccc(-c2noc(C[N@H+]3CCCN(c4cccnn4)CC3)n2)cc1 ZINC000106071553 543189334 /nfs/dbraw/zinc/18/93/34/543189334.db2.gz ZIUNKYZTPNGVCB-UHFFFAOYSA-N 1 2 354.389 2.378 10 0 FEAELO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(Nc3cccnn3)CC2)sc1C ZINC000106080737 543191941 /nfs/dbraw/zinc/19/19/41/543191941.db2.gz PVVVQAYHGKVWMU-LBPRGKRZSA-N 1 2 360.487 2.453 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)s1 ZINC000106089811 543194138 /nfs/dbraw/zinc/19/41/38/543194138.db2.gz NRJIDMWPGOGJQI-UHFFFAOYSA-N 1 2 358.511 2.471 10 0 FEAELO Cc1ncc(CN2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)s1 ZINC000106089811 543194139 /nfs/dbraw/zinc/19/41/39/543194139.db2.gz NRJIDMWPGOGJQI-UHFFFAOYSA-N 1 2 358.511 2.471 10 0 FEAELO CC(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000106091656 543194819 /nfs/dbraw/zinc/19/48/19/543194819.db2.gz UPKOGHCZYLUOKD-UHFFFAOYSA-N 1 2 372.494 2.410 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)CC)CC2)n1 ZINC000106137753 543207236 /nfs/dbraw/zinc/20/72/36/543207236.db2.gz GJGCTBUDYPPQEV-KBPBESRZSA-N 1 2 351.495 2.004 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000106143542 543207618 /nfs/dbraw/zinc/20/76/18/543207618.db2.gz JMEJIWIGRCTURM-UHFFFAOYSA-N 1 2 373.545 2.161 10 0 FEAELO CC(C)c1nnc(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1C ZINC000106144382 543208017 /nfs/dbraw/zinc/20/80/17/543208017.db2.gz YTCMNWMHJQDRKD-UHFFFAOYSA-N 1 2 359.522 2.208 10 0 FEAELO CCc1ccc(NC(=O)C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000106157087 543210605 /nfs/dbraw/zinc/21/06/05/543210605.db2.gz YTNKDEHPXNLYLM-UHFFFAOYSA-N 1 2 355.486 2.129 10 0 FEAELO CCc1ccc(NC(=O)C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000106157087 543210607 /nfs/dbraw/zinc/21/06/07/543210607.db2.gz YTNKDEHPXNLYLM-UHFFFAOYSA-N 1 2 355.486 2.129 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](CC(=O)N(C3CC3)C3CCC(C)CC3)CCO2)c1 ZINC000106195267 543215758 /nfs/dbraw/zinc/21/57/58/543215758.db2.gz ZJRIWQAXWLDXIE-NLPFYKDJSA-N 1 2 374.529 2.462 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](CC(=O)N(C3CC3)C3CCC(C)CC3)CCO2)c1 ZINC000106195267 543215761 /nfs/dbraw/zinc/21/57/61/543215761.db2.gz ZJRIWQAXWLDXIE-NLPFYKDJSA-N 1 2 374.529 2.462 10 0 FEAELO CC(C)[C@@H](C)NC(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161828 543211356 /nfs/dbraw/zinc/21/13/56/543211356.db2.gz LNMZTKOFSHKUMF-CVEARBPZSA-N 1 2 353.532 2.214 10 0 FEAELO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161828 543211358 /nfs/dbraw/zinc/21/13/58/543211358.db2.gz LNMZTKOFSHKUMF-CVEARBPZSA-N 1 2 353.532 2.214 10 0 FEAELO OC[C@H]1CCCN1c1cc(NC[C@]2(O)CCCc3ccccc32)[nH+]cn1 ZINC000109001716 543310817 /nfs/dbraw/zinc/31/08/17/543310817.db2.gz WYQUUWVAYHCZNK-OXQOHEQNSA-N 1 2 354.454 2.074 10 0 FEAELO OC[C@H]1CCCN1c1cc(NC[C@]2(O)CCCc3ccccc32)nc[nH+]1 ZINC000109001716 543310819 /nfs/dbraw/zinc/31/08/19/543310819.db2.gz WYQUUWVAYHCZNK-OXQOHEQNSA-N 1 2 354.454 2.074 10 0 FEAELO CC(C)(C)n1cc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000109644725 543330190 /nfs/dbraw/zinc/33/01/90/543330190.db2.gz JCFWUGRODBVBCF-SFHVURJKSA-N 1 2 356.470 2.130 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)cs1 ZINC000109651866 543331160 /nfs/dbraw/zinc/33/11/60/543331160.db2.gz DDGZKXQWXZUJJY-PBHICJAKSA-N 1 2 367.515 2.070 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)cs1 ZINC000109651866 543331162 /nfs/dbraw/zinc/33/11/62/543331162.db2.gz DDGZKXQWXZUJJY-PBHICJAKSA-N 1 2 367.515 2.070 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000109661396 543333264 /nfs/dbraw/zinc/33/32/64/543333264.db2.gz CHXHIVVEYNDAHQ-UHFFFAOYSA-N 1 2 358.490 2.203 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cn1 ZINC000109661396 543333267 /nfs/dbraw/zinc/33/32/67/543333267.db2.gz CHXHIVVEYNDAHQ-UHFFFAOYSA-N 1 2 358.490 2.203 10 0 FEAELO COc1ccc([C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)cc1 ZINC000110411156 543357263 /nfs/dbraw/zinc/35/72/63/543357263.db2.gz FTDCJCQLHDTFFZ-IAGOWNOFSA-N 1 2 354.454 2.440 10 0 FEAELO COc1ccc([C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)cc1 ZINC000110411156 543357266 /nfs/dbraw/zinc/35/72/66/543357266.db2.gz FTDCJCQLHDTFFZ-IAGOWNOFSA-N 1 2 354.454 2.440 10 0 FEAELO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114482562 543520053 /nfs/dbraw/zinc/52/00/53/543520053.db2.gz OVVYGMLXZXXKAH-GOSISDBHSA-N 1 2 369.469 2.342 10 0 FEAELO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114482562 543520056 /nfs/dbraw/zinc/52/00/56/543520056.db2.gz OVVYGMLXZXXKAH-GOSISDBHSA-N 1 2 369.469 2.342 10 0 FEAELO Cc1ncc(/C=C/C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)s1 ZINC000115389001 543564355 /nfs/dbraw/zinc/56/43/55/543564355.db2.gz YPYXXFSXLHNUFN-AATRIKPKSA-N 1 2 359.499 2.159 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000115713908 543583060 /nfs/dbraw/zinc/58/30/60/543583060.db2.gz KCAONYLONCEJNH-UHFFFAOYSA-N 1 2 355.486 2.061 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC[N@@H+]1CCOC ZINC000117371879 543630597 /nfs/dbraw/zinc/63/05/97/543630597.db2.gz LYNKWOBMYGRYBS-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC[N@H+]1CCOC ZINC000117371879 543630599 /nfs/dbraw/zinc/63/05/99/543630599.db2.gz LYNKWOBMYGRYBS-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)C[C@H]1C ZINC000117521935 543635067 /nfs/dbraw/zinc/63/50/67/543635067.db2.gz HBNYGLYDXCOWSF-CYBMUJFWSA-N 1 2 369.412 2.132 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)C[C@H]1C ZINC000117521935 543635070 /nfs/dbraw/zinc/63/50/70/543635070.db2.gz HBNYGLYDXCOWSF-CYBMUJFWSA-N 1 2 369.412 2.132 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)C[C@@H]1C ZINC000117521932 543635586 /nfs/dbraw/zinc/63/55/86/543635586.db2.gz HBNYGLYDXCOWSF-ZDUSSCGKSA-N 1 2 369.412 2.132 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)C[C@@H]1C ZINC000117521932 543635590 /nfs/dbraw/zinc/63/55/90/543635590.db2.gz HBNYGLYDXCOWSF-ZDUSSCGKSA-N 1 2 369.412 2.132 10 0 FEAELO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc(C)c1Cl ZINC000123134433 543744424 /nfs/dbraw/zinc/74/44/24/543744424.db2.gz RAAPDFJHRAJEEK-OAHLLOKOSA-N 1 2 352.862 2.269 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)ccc2Cl)C[C@@H]1C ZINC000127548887 543999688 /nfs/dbraw/zinc/99/96/88/543999688.db2.gz KCEXVCCBZIJFMT-AWEZNQCLSA-N 1 2 360.907 2.380 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(C)ccc2Cl)C[C@@H]1C ZINC000127548887 543999689 /nfs/dbraw/zinc/99/96/89/543999689.db2.gz KCEXVCCBZIJFMT-AWEZNQCLSA-N 1 2 360.907 2.380 10 0 FEAELO C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000128164307 544036526 /nfs/dbraw/zinc/03/65/26/544036526.db2.gz HZUFDQWJWVYIHE-KGLIPLIRSA-N 1 2 374.403 2.008 10 0 FEAELO CCCC[C@@H](COC)NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000133361482 544266540 /nfs/dbraw/zinc/26/65/40/544266540.db2.gz YTTAEWGBXGYEID-KRWDZBQOSA-N 1 2 365.522 2.069 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000137493898 544391191 /nfs/dbraw/zinc/39/11/91/544391191.db2.gz NDECDCAAWFHPCL-CYBMUJFWSA-N 1 2 362.503 2.432 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000137493898 544391193 /nfs/dbraw/zinc/39/11/93/544391193.db2.gz NDECDCAAWFHPCL-CYBMUJFWSA-N 1 2 362.503 2.432 10 0 FEAELO Cc1c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cccc1OCC(F)(F)F ZINC000150845192 544477962 /nfs/dbraw/zinc/47/79/62/544477962.db2.gz MFILNZJNPRSHEG-GFCCVEGCSA-N 1 2 361.364 2.388 10 0 FEAELO Cc1c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cccc1OCC(F)(F)F ZINC000150845192 544477964 /nfs/dbraw/zinc/47/79/64/544477964.db2.gz MFILNZJNPRSHEG-GFCCVEGCSA-N 1 2 361.364 2.388 10 0 FEAELO CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cccc(-c3[nH+]ccn3C)c1)CC2 ZINC000150901364 544485203 /nfs/dbraw/zinc/48/52/03/544485203.db2.gz FCQATKLKHAHRCZ-HNNXBMFYSA-N 1 2 365.441 2.378 10 0 FEAELO O=C(NCCC1=CCCC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000152140478 544618228 /nfs/dbraw/zinc/61/82/28/544618228.db2.gz BRVUIMCEIJKUNA-IBGZPJMESA-N 1 2 373.497 2.254 10 0 FEAELO C[C@H](Sc1ccccn1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000152300807 544637129 /nfs/dbraw/zinc/63/71/29/544637129.db2.gz FEGXMLYSAKBHKI-HNNXBMFYSA-N 1 2 359.499 2.030 10 0 FEAELO C[C@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000152300807 544637133 /nfs/dbraw/zinc/63/71/33/544637133.db2.gz FEGXMLYSAKBHKI-HNNXBMFYSA-N 1 2 359.499 2.030 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000180324716 327681170 /nfs/dbraw/zinc/68/11/70/327681170.db2.gz PNQNGLQAUBHSQZ-CRAIPNDOSA-N 1 2 374.481 2.435 10 0 FEAELO CCCc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1 ZINC000182474776 327776939 /nfs/dbraw/zinc/77/69/39/327776939.db2.gz HHAZLBATEHOHDT-SFHVURJKSA-N 1 2 368.481 2.372 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccc(Cl)nc1)C2 ZINC000182791909 327788908 /nfs/dbraw/zinc/78/89/08/327788908.db2.gz UUBBXSQLYNSGCC-UHFFFAOYSA-N 1 2 361.833 2.115 10 0 FEAELO Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000183680023 327830262 /nfs/dbraw/zinc/83/02/62/327830262.db2.gz MGRQNMVSQZMUQI-KRWDZBQOSA-N 1 2 355.442 2.119 10 0 FEAELO Cc1c(Br)scc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000185533764 327921065 /nfs/dbraw/zinc/92/10/65/327921065.db2.gz CKCYNSZRUGCBRS-LLVKDONJSA-N 1 2 359.289 2.366 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)[nH]n2)c(C)c1 ZINC000189935548 328177090 /nfs/dbraw/zinc/17/70/90/328177090.db2.gz XFVDWDOFNNORBD-UZLBHIALSA-N 1 2 368.481 2.486 10 0 FEAELO CCS(=O)(=O)CCCCC[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000190521429 328213522 /nfs/dbraw/zinc/21/35/22/328213522.db2.gz RXIJSDXPTZNAOV-UHFFFAOYSA-N 1 2 359.561 2.174 10 0 FEAELO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(OC(C)C)c1 ZINC000191917091 328288550 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10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000078254796 325038372 /nfs/dbraw/zinc/03/83/72/325038372.db2.gz DIXQEPOIHYBWOS-CYBMUJFWSA-N 1 2 359.348 2.076 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000078254796 325038375 /nfs/dbraw/zinc/03/83/75/325038375.db2.gz DIXQEPOIHYBWOS-CYBMUJFWSA-N 1 2 359.348 2.076 10 0 FEAELO CCCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC000080025485 325114245 /nfs/dbraw/zinc/11/42/45/325114245.db2.gz QDZDKSJCAWLOKN-GOSISDBHSA-N 1 2 361.486 2.082 10 0 FEAELO CCCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC000080025485 325114247 /nfs/dbraw/zinc/11/42/47/325114247.db2.gz QDZDKSJCAWLOKN-GOSISDBHSA-N 1 2 361.486 2.082 10 0 FEAELO CC(=O)N[C@H]1CCC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000081666224 325192177 /nfs/dbraw/zinc/19/21/77/325192177.db2.gz LCAHFEUSPXZIAP-INIZCTEOSA-N 1 2 372.494 2.174 10 0 FEAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000081666224 325192182 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Cn1cc([C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)cn1 ZINC000116417021 326012552 /nfs/dbraw/zinc/01/25/52/326012552.db2.gz CINBEMSRLYLWGS-INIZCTEOSA-N 1 2 354.458 2.114 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(F)ccc2F)C[C@@H]1CC ZINC000116899114 326041368 /nfs/dbraw/zinc/04/13/68/326041368.db2.gz QHXWLUGFPBVHDU-AWEZNQCLSA-N 1 2 362.442 2.086 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(F)ccc2F)C[C@@H]1CC ZINC000116899114 326041371 /nfs/dbraw/zinc/04/13/71/326041371.db2.gz QHXWLUGFPBVHDU-AWEZNQCLSA-N 1 2 362.442 2.086 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000117369615 326059302 /nfs/dbraw/zinc/05/93/02/326059302.db2.gz HDNJFIGAAHDWSN-LBPRGKRZSA-N 1 2 366.405 2.047 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000117369615 326059304 /nfs/dbraw/zinc/05/93/04/326059304.db2.gz HDNJFIGAAHDWSN-LBPRGKRZSA-N 1 2 366.405 2.047 10 0 FEAELO C[C@@H](CNC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1)[NH+]1CCOCC1 ZINC000117958520 326075374 /nfs/dbraw/zinc/07/53/74/326075374.db2.gz AYYONOKCJAMCFL-QFBILLFUSA-N 1 2 360.502 2.320 10 0 FEAELO C[C@H](CNC(=O)c1c(F)cc(Br)cc1F)[NH+]1CCOCC1 ZINC000119035438 326120308 /nfs/dbraw/zinc/12/03/08/326120308.db2.gz DFAYSIKNMFOCGH-SECBINFHSA-N 1 2 363.202 2.178 10 0 FEAELO C[C@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)c1cccs1 ZINC000119165228 326133026 /nfs/dbraw/zinc/13/30/26/326133026.db2.gz ODCQNLPPRBIMFB-IRXDYDNUSA-N 1 2 374.506 2.436 10 0 FEAELO CC(C)S(=O)(=O)CCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000120089474 326229281 /nfs/dbraw/zinc/22/92/81/326229281.db2.gz BUJHGOUTIVORTK-MRXNPFEDSA-N 1 2 374.572 2.267 10 0 FEAELO CC(C)S(=O)(=O)CCC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000120089474 326229284 /nfs/dbraw/zinc/22/92/84/326229284.db2.gz BUJHGOUTIVORTK-MRXNPFEDSA-N 1 2 374.572 2.267 10 0 FEAELO CCn1nccc1CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000121427369 326337889 /nfs/dbraw/zinc/33/78/89/326337889.db2.gz PGIQZILDJFFKFR-UHFFFAOYSA-N 1 2 350.470 2.407 10 0 FEAELO CCn1nccc1C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000121427369 326337892 /nfs/dbraw/zinc/33/78/92/326337892.db2.gz PGIQZILDJFFKFR-UHFFFAOYSA-N 1 2 350.470 2.407 10 0 FEAELO CC(=O)N[C@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000121628312 326352942 /nfs/dbraw/zinc/35/29/42/326352942.db2.gz OYNUIXHYQPAYJT-HNNXBMFYSA-N 1 2 360.483 2.003 10 0 FEAELO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000122496354 326399184 /nfs/dbraw/zinc/39/91/84/326399184.db2.gz IWRFUKKNUBYEBM-QFBILLFUSA-N 1 2 373.453 2.033 10 0 FEAELO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000122496354 326399185 /nfs/dbraw/zinc/39/91/85/326399185.db2.gz IWRFUKKNUBYEBM-QFBILLFUSA-N 1 2 373.453 2.033 10 0 FEAELO CC[C@@](C)(CCO)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000154478322 326761046 /nfs/dbraw/zinc/76/10/46/326761046.db2.gz GACBYVYEPODHTP-QAPCUYQASA-N 1 2 369.531 2.280 10 0 FEAELO O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000155381356 326786662 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10 0 FEAELO C[C@H](CNC(=O)N[C@H](c1nccs1)c1ccccc1)[NH+]1CCOCC1 ZINC000171421642 327138560 /nfs/dbraw/zinc/13/85/60/327138560.db2.gz AOVDZXWVGPPPMY-ZBFHGGJFSA-N 1 2 360.483 2.252 10 0 FEAELO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171504772 327142859 /nfs/dbraw/zinc/14/28/59/327142859.db2.gz OYIJWEJPPMDGDV-MRXNPFEDSA-N 1 2 356.426 2.007 10 0 FEAELO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171504772 327142860 /nfs/dbraw/zinc/14/28/60/327142860.db2.gz OYIJWEJPPMDGDV-MRXNPFEDSA-N 1 2 356.426 2.007 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000171675146 327154184 /nfs/dbraw/zinc/15/41/84/327154184.db2.gz VODNHCSVHAOXOU-QLFBSQMISA-N 1 2 355.504 2.272 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000171674277 327154381 /nfs/dbraw/zinc/15/43/81/327154381.db2.gz LLPJWFKPURLRTC-AWEZNQCLSA-N 1 2 361.467 2.357 10 0 FEAELO CC(C)[C@H](C)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000172500769 327204224 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Cc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1C ZINC000172763173 327217618 /nfs/dbraw/zinc/21/76/18/327217618.db2.gz QCEROXZCJDMLAB-KRWDZBQOSA-N 1 2 354.454 2.036 10 0 FEAELO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761213 327217636 /nfs/dbraw/zinc/21/76/36/327217636.db2.gz QFHRZJJFJBURSX-OAHLLOKOSA-N 1 2 360.845 2.277 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)n1 ZINC000172792184 327219069 /nfs/dbraw/zinc/21/90/69/327219069.db2.gz DHCZKRVYJJNWJD-WMLDXEAASA-N 1 2 371.441 2.082 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C(C)(C)C)c2C)nc[nH+]1 ZINC000173410598 327254397 /nfs/dbraw/zinc/25/43/97/327254397.db2.gz NISYLSSOZRCRKZ-CQSZACIVSA-N 1 2 371.489 2.177 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C(C)(C)C)c2C)[nH+]cn1 ZINC000173410598 327254399 /nfs/dbraw/zinc/25/43/99/327254399.db2.gz NISYLSSOZRCRKZ-CQSZACIVSA-N 1 2 371.489 2.177 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)C2)n1 ZINC000173482910 327260541 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C[C@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173828929 327287274 /nfs/dbraw/zinc/28/72/74/327287274.db2.gz HLLWFHWEHIOEGJ-BLLLJJGKSA-N 1 2 356.825 2.037 10 0 FEAELO COc1ccc(S[C@H](C)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000173840634 327287987 /nfs/dbraw/zinc/28/79/87/327287987.db2.gz VFCZBVXGCRCVIH-DAYGRLMNSA-N 1 2 364.511 2.355 10 0 FEAELO CCc1ccc(C(=O)CCC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173854805 327289116 /nfs/dbraw/zinc/28/91/16/327289116.db2.gz XXRSDDGLKSOYNK-VQIMIIECSA-N 1 2 358.482 2.391 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(Br)cc2F)C[C@H]1[NH+]1CCOCC1 ZINC000173885535 327291486 /nfs/dbraw/zinc/29/14/86/327291486.db2.gz CCSFKVKIFDUHMK-XHDPSFHLSA-N 1 2 371.250 2.381 10 0 FEAELO C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912611 327293989 /nfs/dbraw/zinc/29/39/89/327293989.db2.gz PFBIYKNNRTUVTO-CQSZACIVSA-N 1 2 364.405 2.227 10 0 FEAELO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1ccccc1SC(F)F ZINC000173944128 327296437 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2.445 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)O[C@H](C)C2)[NH+]2CCOCC2)s1 ZINC000174986055 327365521 /nfs/dbraw/zinc/36/55/21/327365521.db2.gz OFBJEANVMGUQCZ-FMKPAKJESA-N 1 2 367.515 2.249 10 0 FEAELO CCC(O)(CC)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000175001221 327366863 /nfs/dbraw/zinc/36/68/63/327366863.db2.gz PQVXQZZRBXADIF-OAHLLOKOSA-N 1 2 369.531 2.280 10 0 FEAELO C[C@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175601707 327401694 /nfs/dbraw/zinc/40/16/94/327401694.db2.gz ISILLMGTDVQRLB-LSDHHAIUSA-N 1 2 355.442 2.230 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000176530035 327461326 /nfs/dbraw/zinc/46/13/26/327461326.db2.gz CFEMXDOFSWRFGR-OAHLLOKOSA-N 1 2 370.482 2.427 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)Cc2ccc(C)nc2)[NH+]2CCOCC2)s1 ZINC000176548718 327462235 /nfs/dbraw/zinc/46/22/35/327462235.db2.gz QVKVCEZYITVVIQ-QGZVFWFLSA-N 1 2 359.495 2.492 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000177214757 327507023 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C[C@@H](CNC(=O)CSc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000158122137 545824860 /nfs/dbraw/zinc/82/48/60/545824860.db2.gz ZWVQYKRCGKSSGX-LBPRGKRZSA-N 1 2 373.316 2.378 10 0 FEAELO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000158121087 545825334 /nfs/dbraw/zinc/82/53/34/545825334.db2.gz GROJJFZLINRLEJ-AWEZNQCLSA-N 1 2 362.861 2.285 10 0 FEAELO O=C(N[C@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159050018 545917753 /nfs/dbraw/zinc/91/77/53/545917753.db2.gz YPUQQSZCMROOEG-SFHVURJKSA-N 1 2 352.438 2.433 10 0 FEAELO CCCC[C@@H](C(=O)OC)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000173335884 546278150 /nfs/dbraw/zinc/27/81/50/546278150.db2.gz SMWBMGBUESTGAC-KRWDZBQOSA-N 1 2 350.507 2.488 10 0 FEAELO CCCC[C@@H](C(=O)OC)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000173335884 546278154 /nfs/dbraw/zinc/27/81/54/546278154.db2.gz SMWBMGBUESTGAC-KRWDZBQOSA-N 1 2 350.507 2.488 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(c3ccccc3)CC2)nc[nH+]1 ZINC000173425304 546281331 /nfs/dbraw/zinc/28/13/31/546281331.db2.gz CSXOXENKDNELIK-MRXNPFEDSA-N 1 2 351.454 2.335 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(c3ccccc3)CC2)[nH+]cn1 ZINC000173425304 546281336 /nfs/dbraw/zinc/28/13/36/546281336.db2.gz CSXOXENKDNELIK-MRXNPFEDSA-N 1 2 351.454 2.335 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC1CCOCC1 ZINC000176545996 546459322 /nfs/dbraw/zinc/45/93/22/546459322.db2.gz WRQIMLQYBGRXOG-MRXNPFEDSA-N 1 2 352.500 2.397 10 0 FEAELO CCN(Cc1ccccn1)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000176561960 546462098 /nfs/dbraw/zinc/46/20/98/546462098.db2.gz CKDJMTXBHDRGJL-MRXNPFEDSA-N 1 2 369.473 2.114 10 0 FEAELO CCN(Cc1ccccn1)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000176561960 546462103 /nfs/dbraw/zinc/46/21/03/546462103.db2.gz CKDJMTXBHDRGJL-MRXNPFEDSA-N 1 2 369.473 2.114 10 0 FEAELO Cc1cc(N2CCC[C@H](NC(=O)Nc3ccc(C)[nH+]c3C)C2=O)n(C)n1 ZINC000176765241 546485085 /nfs/dbraw/zinc/48/50/85/546485085.db2.gz AVRWACXNXVHYMD-HNNXBMFYSA-N 1 2 356.430 2.057 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000176911184 546506689 /nfs/dbraw/zinc/50/66/89/546506689.db2.gz QIGQAMQMXSNKJL-SNVBAGLBSA-N 1 2 357.382 2.123 10 0 FEAELO Cc1ccc2nc(NC(=O)CN3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)sc2c1 ZINC000177241014 546576934 /nfs/dbraw/zinc/57/69/34/546576934.db2.gz SXLPQTOZCDLFOD-GDBMZVCRSA-N 1 2 374.510 2.196 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)sc2c1 ZINC000177241014 546576939 /nfs/dbraw/zinc/57/69/39/546576939.db2.gz SXLPQTOZCDLFOD-GDBMZVCRSA-N 1 2 374.510 2.196 10 0 FEAELO Cc1ccc2nc(NC(=O)C[N@@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)sc2c1 ZINC000177241014 546576942 /nfs/dbraw/zinc/57/69/42/546576942.db2.gz SXLPQTOZCDLFOD-GDBMZVCRSA-N 1 2 374.510 2.196 10 0 FEAELO CSc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177278468 546586544 /nfs/dbraw/zinc/58/65/44/546586544.db2.gz CVWIPBVQWOZRNV-VYDXJSESSA-N 1 2 363.527 2.388 10 0 FEAELO CCc1cccc(NC(=O)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177469028 546625209 /nfs/dbraw/zinc/62/52/09/546625209.db2.gz CMHORFHALBVWPV-QGZVFWFLSA-N 1 2 355.442 2.258 10 0 FEAELO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(-c2cccnc2)cc1 ZINC000177486377 546628721 /nfs/dbraw/zinc/62/87/21/546628721.db2.gz TVLUAMGNWZORFR-HNAYVOBHSA-N 1 2 354.454 2.439 10 0 FEAELO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(-c2cccnc2)cc1 ZINC000177486377 546628725 /nfs/dbraw/zinc/62/87/25/546628725.db2.gz TVLUAMGNWZORFR-HNAYVOBHSA-N 1 2 354.454 2.439 10 0 FEAELO Cc1nc(CN2CCC[N@H+](Cc3cnc(-c4ccccc4)[nH]3)CC2)no1 ZINC000179212144 546915273 /nfs/dbraw/zinc/91/52/73/546915273.db2.gz CHTDAXHIOAVHJF-UHFFFAOYSA-N 1 2 352.442 2.476 10 0 FEAELO Cc1nc(CN2CCC[N@@H+](Cc3cnc(-c4ccccc4)[nH]3)CC2)no1 ZINC000179212144 546915276 /nfs/dbraw/zinc/91/52/76/546915276.db2.gz CHTDAXHIOAVHJF-UHFFFAOYSA-N 1 2 352.442 2.476 10 0 FEAELO Cc1nc(CN2CCC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)CC2)no1 ZINC000179212144 546915281 /nfs/dbraw/zinc/91/52/81/546915281.db2.gz CHTDAXHIOAVHJF-UHFFFAOYSA-N 1 2 352.442 2.476 10 0 FEAELO Cc1nc(CN2CCC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)CC2)no1 ZINC000179212144 546915286 /nfs/dbraw/zinc/91/52/86/546915286.db2.gz CHTDAXHIOAVHJF-UHFFFAOYSA-N 1 2 352.442 2.476 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C(C)C)c2C)nc[nH+]1 ZINC000180325489 547085243 /nfs/dbraw/zinc/08/52/43/547085243.db2.gz XCCHXCNRXMKPQS-CQSZACIVSA-N 1 2 357.462 2.003 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C(C)C)c2C)[nH+]cn1 ZINC000180325489 547085245 /nfs/dbraw/zinc/08/52/45/547085245.db2.gz XCCHXCNRXMKPQS-CQSZACIVSA-N 1 2 357.462 2.003 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C(C)C)c2C)nc[nH+]1 ZINC000180325470 547085548 /nfs/dbraw/zinc/08/55/48/547085548.db2.gz XCCHXCNRXMKPQS-AWEZNQCLSA-N 1 2 357.462 2.003 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C(C)C)c2C)[nH+]cn1 ZINC000180325470 547085551 /nfs/dbraw/zinc/08/55/51/547085551.db2.gz XCCHXCNRXMKPQS-AWEZNQCLSA-N 1 2 357.462 2.003 10 0 FEAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000181543889 547332732 /nfs/dbraw/zinc/33/27/32/547332732.db2.gz BYWBTIUWAQILNZ-AWEZNQCLSA-N 1 2 371.466 2.225 10 0 FEAELO C[C@@H](NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000181617285 547345597 /nfs/dbraw/zinc/34/55/97/547345597.db2.gz PZYOMEFVVZZRFN-CABCVRRESA-N 1 2 367.453 2.243 10 0 FEAELO C[C@H](CNC(=O)CCc1cc(F)ccc1Br)[NH+]1CCOCC1 ZINC000182110043 547439707 /nfs/dbraw/zinc/43/97/07/547439707.db2.gz YCNUFHYPBZYIDV-GFCCVEGCSA-N 1 2 373.266 2.358 10 0 FEAELO O=C(NCc1ccccc1N1CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000183688982 547702757 /nfs/dbraw/zinc/70/27/57/547702757.db2.gz KHNGCCYNQBPWLA-LJQANCHMSA-N 1 2 372.513 2.293 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1cccc(-c2nncn2CC)c1 ZINC000184249447 547793367 /nfs/dbraw/zinc/79/33/67/547793367.db2.gz ULKHNQWWSJNNBX-KRWDZBQOSA-N 1 2 357.458 2.404 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1cccc(-c2nncn2CC)c1 ZINC000184249447 547793371 /nfs/dbraw/zinc/79/33/71/547793371.db2.gz ULKHNQWWSJNNBX-KRWDZBQOSA-N 1 2 357.458 2.404 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2C[S@](C)=O)C[C@H]1C ZINC000184332098 547809013 /nfs/dbraw/zinc/80/90/13/547809013.db2.gz CTRVLDFZWVPSEW-BZQUYTCOSA-N 1 2 367.515 2.140 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2C[S@](C)=O)C[C@H]1C ZINC000184332098 547809017 /nfs/dbraw/zinc/80/90/17/547809017.db2.gz CTRVLDFZWVPSEW-BZQUYTCOSA-N 1 2 367.515 2.140 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Nc3nc4ccccn4n3)CC2)cs1 ZINC000184340834 547810377 /nfs/dbraw/zinc/81/03/77/547810377.db2.gz RJAJCWZZSJXHJI-UHFFFAOYSA-N 1 2 371.470 2.234 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)Nc3nc4ccccn4n3)CC2)cs1 ZINC000184340834 547810381 /nfs/dbraw/zinc/81/03/81/547810381.db2.gz RJAJCWZZSJXHJI-UHFFFAOYSA-N 1 2 371.470 2.234 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC000184563997 547846784 /nfs/dbraw/zinc/84/67/84/547846784.db2.gz BFKDTSQWTRZOBL-AWEZNQCLSA-N 1 2 353.463 2.173 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC000184563997 547846785 /nfs/dbraw/zinc/84/67/85/547846785.db2.gz BFKDTSQWTRZOBL-AWEZNQCLSA-N 1 2 353.463 2.173 10 0 FEAELO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000184600253 547852697 /nfs/dbraw/zinc/85/26/97/547852697.db2.gz VXRBFLGISUOENW-LLVKDONJSA-N 1 2 372.263 2.218 10 0 FEAELO COc1cc(C)c(Br)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000184600253 547852701 /nfs/dbraw/zinc/85/27/01/547852701.db2.gz VXRBFLGISUOENW-LLVKDONJSA-N 1 2 372.263 2.218 10 0 FEAELO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184743307 547873595 /nfs/dbraw/zinc/87/35/95/547873595.db2.gz QIGIXGMZYLEQPN-FBIMIBRVSA-N 1 2 366.767 2.113 10 0 FEAELO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184743307 547873598 /nfs/dbraw/zinc/87/35/98/547873598.db2.gz QIGIXGMZYLEQPN-FBIMIBRVSA-N 1 2 366.767 2.113 10 0 FEAELO CCN(C(=O)C[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1)C1CCCCC1 ZINC000186692554 548175222 /nfs/dbraw/zinc/17/52/22/548175222.db2.gz BQEWEKSOSNBXPY-UHFFFAOYSA-N 1 2 353.507 2.039 10 0 FEAELO CCN(C(=O)C[NH+]1CCC([N@@H+](CC)CC(=O)[O-])CC1)C1CCCCC1 ZINC000186692554 548175226 /nfs/dbraw/zinc/17/52/26/548175226.db2.gz BQEWEKSOSNBXPY-UHFFFAOYSA-N 1 2 353.507 2.039 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)CCO2)n1 ZINC000186948549 548226432 /nfs/dbraw/zinc/22/64/32/548226432.db2.gz HBENXVWRKHOPOB-LJQANCHMSA-N 1 2 368.481 2.310 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)CCO2)n1 ZINC000186948549 548226435 /nfs/dbraw/zinc/22/64/35/548226435.db2.gz HBENXVWRKHOPOB-LJQANCHMSA-N 1 2 368.481 2.310 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000194620400 548506495 /nfs/dbraw/zinc/50/64/95/548506495.db2.gz DFILWMLUAIYMOF-SECBINFHSA-N 1 2 367.660 2.472 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000194620400 548506498 /nfs/dbraw/zinc/50/64/98/548506498.db2.gz DFILWMLUAIYMOF-SECBINFHSA-N 1 2 367.660 2.472 10 0 FEAELO Cc1nc(COc2cccc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c2)cs1 ZINC000194625300 548507971 /nfs/dbraw/zinc/50/79/71/548507971.db2.gz QWNXPABKCUPKIP-QGZVFWFLSA-N 1 2 361.467 2.091 10 0 FEAELO Cc1nc(COc2cccc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2)cs1 ZINC000194625300 548507974 /nfs/dbraw/zinc/50/79/74/548507974.db2.gz QWNXPABKCUPKIP-QGZVFWFLSA-N 1 2 361.467 2.091 10 0 FEAELO CCCCOc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OCC ZINC000194638589 548510593 /nfs/dbraw/zinc/51/05/93/548510593.db2.gz CLUAPJMXLUUHLX-INIZCTEOSA-N 1 2 350.459 2.325 10 0 FEAELO CCCCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OCC ZINC000194638589 548510596 /nfs/dbraw/zinc/51/05/96/548510596.db2.gz CLUAPJMXLUUHLX-INIZCTEOSA-N 1 2 350.459 2.325 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000194723696 548520334 /nfs/dbraw/zinc/52/03/34/548520334.db2.gz GFLVBRMPPAJDOE-MRXNPFEDSA-N 1 2 356.397 2.117 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000194723696 548520341 /nfs/dbraw/zinc/52/03/41/548520341.db2.gz GFLVBRMPPAJDOE-MRXNPFEDSA-N 1 2 356.397 2.117 10 0 FEAELO CCCS(=O)(=O)c1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195059450 548571659 /nfs/dbraw/zinc/57/16/59/548571659.db2.gz UBZIYGJYIKGCSX-HNNXBMFYSA-N 1 2 350.484 2.181 10 0 FEAELO CCCS(=O)(=O)c1ccccc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195059450 548571661 /nfs/dbraw/zinc/57/16/61/548571661.db2.gz UBZIYGJYIKGCSX-HNNXBMFYSA-N 1 2 350.484 2.181 10 0 FEAELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000195279410 548610647 /nfs/dbraw/zinc/61/06/47/548610647.db2.gz DGEFLJAMOQMXDY-AWEZNQCLSA-N 1 2 352.442 2.191 10 0 FEAELO C[NH+](C)[C@@H](C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000195291539 548612904 /nfs/dbraw/zinc/61/29/04/548612904.db2.gz PIDARWXFXDXNPN-FUHWJXTLSA-N 1 2 358.463 2.324 10 0 FEAELO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000195291520 548613523 /nfs/dbraw/zinc/61/35/23/548613523.db2.gz PIDARWXFXDXNPN-SJLPKXTDSA-N 1 2 358.463 2.324 10 0 FEAELO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2nccs2)C1 ZINC000195439395 548639610 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FEAELO Cn1cc([C@@H]2CC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)cn1 ZINC000245720679 548982053 /nfs/dbraw/zinc/98/20/53/548982053.db2.gz AQNBYYWXIVJDAT-IUODEOHRSA-N 1 2 363.259 2.199 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)c2cccs2)CCO1 ZINC000245937863 549025432 /nfs/dbraw/zinc/02/54/32/549025432.db2.gz QKIACQCLQSDGDF-VKJFTORMSA-N 1 2 367.515 2.066 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)c2cccs2)CCO1 ZINC000245937863 549025434 /nfs/dbraw/zinc/02/54/34/549025434.db2.gz QKIACQCLQSDGDF-VKJFTORMSA-N 1 2 367.515 2.066 10 0 FEAELO CC[C@H](CCO)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246184341 549071554 /nfs/dbraw/zinc/07/15/54/549071554.db2.gz HHHCCIQHLYPRBP-ARFHVFGLSA-N 1 2 369.531 2.218 10 0 FEAELO CC[C@H](CCO)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246184341 549071556 /nfs/dbraw/zinc/07/15/56/549071556.db2.gz HHHCCIQHLYPRBP-ARFHVFGLSA-N 1 2 369.531 2.218 10 0 FEAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246289160 549097225 /nfs/dbraw/zinc/09/72/25/549097225.db2.gz AXQDSFAIJWKPJM-IIYDPXPESA-N 1 2 369.868 2.459 10 0 FEAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246289160 549097226 /nfs/dbraw/zinc/09/72/26/549097226.db2.gz AXQDSFAIJWKPJM-IIYDPXPESA-N 1 2 369.868 2.459 10 0 FEAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246289160 549097227 /nfs/dbraw/zinc/09/72/27/549097227.db2.gz AXQDSFAIJWKPJM-IIYDPXPESA-N 1 2 369.868 2.459 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(C)cc2F)C[C@H]1C ZINC000246304671 549101322 /nfs/dbraw/zinc/10/13/22/549101322.db2.gz YKXYTRODRAWJPQ-CYBMUJFWSA-N 1 2 362.442 2.005 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(C)cc2F)C[C@H]1C ZINC000246304671 549101325 /nfs/dbraw/zinc/10/13/25/549101325.db2.gz YKXYTRODRAWJPQ-CYBMUJFWSA-N 1 2 362.442 2.005 10 0 FEAELO C[C@H]1CN(Cc2nc(-c3ccc(F)c(F)c3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000246553810 549160068 /nfs/dbraw/zinc/16/00/68/549160068.db2.gz BDDUKBXZPLKBOC-BLLLJJGKSA-N 1 2 364.396 2.167 10 0 FEAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NCc2ccncc2)c2cccs2)CCO1 ZINC000246660575 549184183 /nfs/dbraw/zinc/18/41/83/549184183.db2.gz CHKUYESKSRQKTH-GOEBONIOSA-N 1 2 360.483 2.404 10 0 FEAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NCc2ccncc2)c2cccs2)CCO1 ZINC000246660575 549184187 /nfs/dbraw/zinc/18/41/87/549184187.db2.gz CHKUYESKSRQKTH-GOEBONIOSA-N 1 2 360.483 2.404 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@@H](O)COc3cccc4ccccc43)CCO2)[nH]1 ZINC000246790849 549213481 /nfs/dbraw/zinc/21/34/81/549213481.db2.gz AKJXTBJDMIDLNA-VQIMIIECSA-N 1 2 368.437 2.080 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@@H](O)COc3cccc4ccccc43)CCO2)[nH]1 ZINC000246790849 549213487 /nfs/dbraw/zinc/21/34/87/549213487.db2.gz AKJXTBJDMIDLNA-VQIMIIECSA-N 1 2 368.437 2.080 10 0 FEAELO Cc1noc(C)c1CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246823884 549222081 /nfs/dbraw/zinc/22/20/81/549222081.db2.gz KSBSSHPWNIAOES-BLLLJJGKSA-N 1 2 363.483 2.474 10 0 FEAELO Cc1noc(C)c1CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246823884 549222089 /nfs/dbraw/zinc/22/20/89/549222089.db2.gz KSBSSHPWNIAOES-BLLLJJGKSA-N 1 2 363.483 2.474 10 0 FEAELO CCOCCN1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C ZINC000246911080 549240752 /nfs/dbraw/zinc/24/07/52/549240752.db2.gz AEOTYEVMVVQQOW-RTBURBONSA-N 1 2 361.530 2.385 10 0 FEAELO CCOCCN1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C ZINC000246911080 549240758 /nfs/dbraw/zinc/24/07/58/549240758.db2.gz AEOTYEVMVVQQOW-RTBURBONSA-N 1 2 361.530 2.385 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCc2nccs2)c2cccs2)CCO1 ZINC000246939324 549246742 /nfs/dbraw/zinc/24/67/42/549246742.db2.gz OUPSMMRTVIEOHZ-CHWSQXEVSA-N 1 2 366.512 2.466 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)NCc2nccs2)c2cccs2)CCO1 ZINC000246939324 549246747 /nfs/dbraw/zinc/24/67/47/549246747.db2.gz OUPSMMRTVIEOHZ-CHWSQXEVSA-N 1 2 366.512 2.466 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCc2ccccn2)c2cccs2)CCO1 ZINC000247248917 549306384 /nfs/dbraw/zinc/30/63/84/549306384.db2.gz YOODJYGRIKPORJ-GDBMZVCRSA-N 1 2 360.483 2.404 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)NCc2ccccn2)c2cccs2)CCO1 ZINC000247248917 549306387 /nfs/dbraw/zinc/30/63/87/549306387.db2.gz YOODJYGRIKPORJ-GDBMZVCRSA-N 1 2 360.483 2.404 10 0 FEAELO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000247777421 549380078 /nfs/dbraw/zinc/38/00/78/549380078.db2.gz QYXZOZUFRSDQHV-RRFJBIMHSA-N 1 2 351.495 2.004 10 0 FEAELO CC(C)[C@](C)(O)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000248329727 549419960 /nfs/dbraw/zinc/41/99/60/549419960.db2.gz DHDMNKDIDGPLMM-IIDMSEBBSA-N 1 2 369.531 2.216 10 0 FEAELO CC(C)[C@](C)(O)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000248329727 549419965 /nfs/dbraw/zinc/41/99/65/549419965.db2.gz DHDMNKDIDGPLMM-IIDMSEBBSA-N 1 2 369.531 2.216 10 0 FEAELO Cc1cccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCCO2)[NH+]2CCOCC2)c1 ZINC000248865549 549516511 /nfs/dbraw/zinc/51/65/11/549516511.db2.gz GTBUYLCJTXAGTI-NZSAHSFTSA-N 1 2 361.486 2.235 10 0 FEAELO C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C(=O)c1ccc(Cl)cc1 ZINC000252734062 549678060 /nfs/dbraw/zinc/67/80/60/549678060.db2.gz SBXUFXVBNLSIME-ILXRZTDVSA-N 1 2 366.889 2.462 10 0 FEAELO C[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C(=O)c1ccc(Cl)cc1 ZINC000252734062 549678064 /nfs/dbraw/zinc/67/80/64/549678064.db2.gz SBXUFXVBNLSIME-ILXRZTDVSA-N 1 2 366.889 2.462 10 0 FEAELO COc1cc2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)[nH]c(=O)c2cc1OC ZINC000253553664 549695513 /nfs/dbraw/zinc/69/55/13/549695513.db2.gz BOQIUMALMXTCOC-RNODOKPDSA-N 1 2 373.453 2.480 10 0 FEAELO COc1cc2nc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)[nH]c(=O)c2cc1OC ZINC000253553664 549695514 /nfs/dbraw/zinc/69/55/14/549695514.db2.gz BOQIUMALMXTCOC-RNODOKPDSA-N 1 2 373.453 2.480 10 0 FEAELO COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263218738 549886258 /nfs/dbraw/zinc/88/62/58/549886258.db2.gz LKNBVPXOHXQQDD-RYUDHWBXSA-N 1 2 359.804 2.041 10 0 FEAELO CC(C)c1ccc(N2CC(=O)C(c3nc([C@H]4C[NH2+]CCN4C)no3)=N2)cc1 ZINC000263294308 549893032 /nfs/dbraw/zinc/89/30/32/549893032.db2.gz WDTOIBYOXMXITH-OAHLLOKOSA-N 1 2 368.441 2.327 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCC([C@@H](O)c4nccn4C)CC3)[nH+]cn2)C1 ZINC000269375741 550187988 /nfs/dbraw/zinc/18/79/88/550187988.db2.gz VSVGIMLIRDWBFI-DNVCBOLYSA-N 1 2 370.501 2.396 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCC([C@@H](O)c4nccn4C)CC3)nc[nH+]2)C1 ZINC000269375741 550187992 /nfs/dbraw/zinc/18/79/92/550187992.db2.gz VSVGIMLIRDWBFI-DNVCBOLYSA-N 1 2 370.501 2.396 10 0 FEAELO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC(C)(C)O1 ZINC000284680647 551606438 /nfs/dbraw/zinc/60/64/38/551606438.db2.gz ZNVKLQKYERNWHW-INIZCTEOSA-N 1 2 356.413 2.049 10 0 FEAELO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC(C)(C)O1 ZINC000284680647 551606440 /nfs/dbraw/zinc/60/64/40/551606440.db2.gz ZNVKLQKYERNWHW-INIZCTEOSA-N 1 2 356.413 2.049 10 0 FEAELO C[C@H](Nc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000301648482 553668517 /nfs/dbraw/zinc/66/85/17/553668517.db2.gz IUBOKJCSGVMEJJ-HOCLYGCPSA-N 1 2 365.441 2.192 10 0 FEAELO C[C@H](Nc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1cn(-c2ccccc2)nn1 ZINC000301648482 553668519 /nfs/dbraw/zinc/66/85/19/553668519.db2.gz IUBOKJCSGVMEJJ-HOCLYGCPSA-N 1 2 365.441 2.192 10 0 FEAELO O[C@@H](CNc1ccc2cccc(Br)c2n1)C[NH+]1CCOCC1 ZINC000301746098 553676496 /nfs/dbraw/zinc/67/64/96/553676496.db2.gz XULKNLJXNIGQBR-ZDUSSCGKSA-N 1 2 366.259 2.102 10 0 FEAELO C[C@@H]1CCN(c2nc(N3CC[C@H](C)[C@H](O)C3)c3ccccc3[nH+]2)C[C@H]1O ZINC000301959122 553694448 /nfs/dbraw/zinc/69/44/48/553694448.db2.gz OPWJOBPSGSICEB-MJSCVDMRSA-N 1 2 356.470 2.044 10 0 FEAELO CCc1nn(C)c(OC)c1C[N@@H+]1CCCC[C@H]1c1ccc(C(=O)NC)n1C ZINC000328654669 553802855 /nfs/dbraw/zinc/80/28/55/553802855.db2.gz XPLJXRCTTBDMGV-KRWDZBQOSA-N 1 2 373.501 2.416 10 0 FEAELO CCc1nn(C)c(OC)c1C[N@H+]1CCCC[C@H]1c1ccc(C(=O)NC)n1C ZINC000328654669 553802858 /nfs/dbraw/zinc/80/28/58/553802858.db2.gz XPLJXRCTTBDMGV-KRWDZBQOSA-N 1 2 373.501 2.416 10 0 FEAELO CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000106159334 670810265 /nfs/dbraw/zinc/81/02/65/670810265.db2.gz GZGSCBSNASBJJN-AWEZNQCLSA-N 1 2 369.941 2.010 10 0 FEAELO O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000182081298 672438096 /nfs/dbraw/zinc/43/80/96/672438096.db2.gz MEVIJUXEOQECTQ-NSHDSACASA-N 1 2 360.361 2.150 10 0 FEAELO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000183742055 672478946 /nfs/dbraw/zinc/47/89/46/672478946.db2.gz WUHNLXOTGHDSFW-HUUCEWRRSA-N 1 2 358.548 2.074 10 0 FEAELO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000194654772 672765346 /nfs/dbraw/zinc/76/53/46/672765346.db2.gz HWBGGFSNMMVBMP-GFCCVEGCSA-N 1 2 364.389 2.194 10 0 FEAELO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000194654772 672765349 /nfs/dbraw/zinc/76/53/49/672765349.db2.gz HWBGGFSNMMVBMP-GFCCVEGCSA-N 1 2 364.389 2.194 10 0 FEAELO CSC1(CNC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCC1 ZINC000195122667 672775930 /nfs/dbraw/zinc/77/59/30/672775930.db2.gz JJMKDOCEPZIEIZ-UHFFFAOYSA-N 1 2 365.547 2.150 10 0 FEAELO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000237020333 672805316 /nfs/dbraw/zinc/80/53/16/672805316.db2.gz VLCCTWXPRHFXAU-ZWNOBZJWSA-N 1 2 368.484 2.256 10 0 FEAELO C[C@@H]1C[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000051115888 540422660 /nfs/dbraw/zinc/42/26/60/540422660.db2.gz CTQHOLIYOPXRPZ-CHWSQXEVSA-N 1 2 360.376 2.310 10 0 FEAELO CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000069479227 541689509 /nfs/dbraw/zinc/68/95/09/541689509.db2.gz JWTAFXVMXXOXGM-OAHLLOKOSA-N 1 2 357.458 2.233 10 0 FEAELO COCCN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)COC ZINC000006689060 204261465 /nfs/dbraw/zinc/26/14/65/204261465.db2.gz VDBSYKRVZISTTE-UHFFFAOYSA-N 1 2 351.834 2.206 10 0 FEAELO C[NH+]1CCN(C(=O)c2coc(CN(Cc3ccc(F)cc3)C3CC3)n2)CC1 ZINC000036082729 205004165 /nfs/dbraw/zinc/00/41/65/205004165.db2.gz FJOSBPQXZJPPHP-UHFFFAOYSA-N 1 2 372.444 2.366 10 0 FEAELO COC(=O)c1cc(Nc2nc[nH+]c(NC(C)C)c2N)cc(C(=O)OC)c1 ZINC000040705578 205077527 /nfs/dbraw/zinc/07/75/27/205077527.db2.gz ZHSGGRDZABZBFJ-UHFFFAOYSA-N 1 2 359.386 2.196 10 0 FEAELO CC(C)COC[C@@H](O)CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876658 542133280 /nfs/dbraw/zinc/13/32/80/542133280.db2.gz QJNGPRWSANCBEH-QAPCUYQASA-N 1 2 360.458 2.266 10 0 FEAELO C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)N1C(=O)c2ccccc2C1=O ZINC000079217574 542506618 /nfs/dbraw/zinc/50/66/18/542506618.db2.gz UYSWAKUGWBDQAI-ZDUSSCGKSA-N 1 2 360.373 2.496 10 0 FEAELO CCC1CCC(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000079444700 542519669 /nfs/dbraw/zinc/51/96/69/542519669.db2.gz APAQTKGQOOJGLS-LEOMRAHMSA-N 1 2 355.548 2.462 10 0 FEAELO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)Nc1cccc(F)c1 ZINC000224147769 132281621 /nfs/dbraw/zinc/28/16/21/132281621.db2.gz HRAOWPMAVJNOQG-UHFFFAOYSA-N 1 2 360.393 2.162 10 0 FEAELO COc1c(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c(C)nn1C ZINC000092939022 542897066 /nfs/dbraw/zinc/89/70/66/542897066.db2.gz RCFAECNFJJPLMY-UHFFFAOYSA-N 1 2 358.442 2.444 10 0 FEAELO COc1c(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c(C)nn1C ZINC000092939022 542897069 /nfs/dbraw/zinc/89/70/69/542897069.db2.gz RCFAECNFJJPLMY-UHFFFAOYSA-N 1 2 358.442 2.444 10 0 FEAELO CCCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000103068711 543090424 /nfs/dbraw/zinc/09/04/24/543090424.db2.gz KUQUDEFVULKEFP-INIZCTEOSA-N 1 2 372.469 2.112 10 0 FEAELO Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000106029174 543185359 /nfs/dbraw/zinc/18/53/59/543185359.db2.gz IKZNDSYZSIZTMX-ICSRJNTNSA-N 1 2 368.481 2.232 10 0 FEAELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070347 543188099 /nfs/dbraw/zinc/18/80/99/543188099.db2.gz KMHFYPRUGGIAAB-CYBMUJFWSA-N 1 2 361.396 2.294 10 0 FEAELO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070347 543188102 /nfs/dbraw/zinc/18/81/02/543188102.db2.gz KMHFYPRUGGIAAB-CYBMUJFWSA-N 1 2 361.396 2.294 10 0 FEAELO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(N(C)c3cccnn3)CC2)sc1C ZINC000106083696 543192331 /nfs/dbraw/zinc/19/23/31/543192331.db2.gz ZQROVSMHKRRXFG-CYBMUJFWSA-N 1 2 374.514 2.478 10 0 FEAELO Cc1ncc(CN2CC[NH+](C[C@H](O)COc3ccc(C)cc3)CC2)s1 ZINC000106090404 543194522 /nfs/dbraw/zinc/19/45/22/543194522.db2.gz YJMFUDJHFIPDKD-KRWDZBQOSA-N 1 2 361.511 2.317 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C[C@H](O)COc3ccc(C)cc3)CC2)s1 ZINC000106090404 543194523 /nfs/dbraw/zinc/19/45/23/543194523.db2.gz YJMFUDJHFIPDKD-KRWDZBQOSA-N 1 2 361.511 2.317 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)s1 ZINC000106090866 543194706 /nfs/dbraw/zinc/19/47/06/543194706.db2.gz RGFYAFBRZWPABD-HUUCEWRRSA-N 1 2 350.532 2.359 10 0 FEAELO Cc1ncc(CN2CC[NH+](CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)s1 ZINC000106090866 543194708 /nfs/dbraw/zinc/19/47/08/543194708.db2.gz RGFYAFBRZWPABD-HUUCEWRRSA-N 1 2 350.532 2.359 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)n1 ZINC000106137345 543207087 /nfs/dbraw/zinc/20/70/87/543207087.db2.gz VLJYBEZOFJBUQU-WFASDCNBSA-N 1 2 366.412 2.322 10 0 FEAELO CCN(C(=O)CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1)c1ccccc1 ZINC000106143252 543207668 /nfs/dbraw/zinc/20/76/68/543207668.db2.gz IECRTRPRTWNNMW-UHFFFAOYSA-N 1 2 369.513 2.208 10 0 FEAELO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)n1 ZINC000106178148 543213530 /nfs/dbraw/zinc/21/35/30/543213530.db2.gz QKABZASBBPXGSR-KRWDZBQOSA-N 1 2 351.458 2.388 10 0 FEAELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)n1 ZINC000106178148 543213531 /nfs/dbraw/zinc/21/35/31/543213531.db2.gz QKABZASBBPXGSR-KRWDZBQOSA-N 1 2 351.458 2.388 10 0 FEAELO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000106190738 543215276 /nfs/dbraw/zinc/21/52/76/543215276.db2.gz SKXCCOZQZWKTQP-QKLQHJQFSA-N 1 2 370.497 2.412 10 0 FEAELO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000106190738 543215280 /nfs/dbraw/zinc/21/52/80/543215280.db2.gz SKXCCOZQZWKTQP-QKLQHJQFSA-N 1 2 370.497 2.412 10 0 FEAELO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106192137 543215465 /nfs/dbraw/zinc/21/54/65/543215465.db2.gz XEPQFXYEJYZYHS-IBGZPJMESA-N 1 2 370.497 2.411 10 0 FEAELO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106192137 543215468 /nfs/dbraw/zinc/21/54/68/543215468.db2.gz XEPQFXYEJYZYHS-IBGZPJMESA-N 1 2 370.497 2.411 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNc2ncc(C(=O)N3CCCCC3)cc2Cl)C1 ZINC000108945702 543309045 /nfs/dbraw/zinc/30/90/45/543309045.db2.gz JQKJNTGMBKSLKH-AWEZNQCLSA-N 1 2 352.866 2.104 10 0 FEAELO C[N@H+]1CCO[C@@H](CNc2ncc(C(=O)N3CCCCC3)cc2Cl)C1 ZINC000108945702 543309048 /nfs/dbraw/zinc/30/90/48/543309048.db2.gz JQKJNTGMBKSLKH-AWEZNQCLSA-N 1 2 352.866 2.104 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109657717 543332583 /nfs/dbraw/zinc/33/25/83/543332583.db2.gz BWDLSZQEOCEBFD-UHFFFAOYSA-N 1 2 367.247 2.124 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)cn1 ZINC000109657717 543332584 /nfs/dbraw/zinc/33/25/84/543332584.db2.gz BWDLSZQEOCEBFD-UHFFFAOYSA-N 1 2 367.247 2.124 10 0 FEAELO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1nc2ccc(F)cc2s1 ZINC000112343244 543442559 /nfs/dbraw/zinc/44/25/59/543442559.db2.gz GLKSPRJVRNNCBA-GFCCVEGCSA-N 1 2 360.418 2.303 10 0 FEAELO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1nc2ccc(F)cc2s1 ZINC000112343244 543442561 /nfs/dbraw/zinc/44/25/61/543442561.db2.gz GLKSPRJVRNNCBA-GFCCVEGCSA-N 1 2 360.418 2.303 10 0 FEAELO C[N@@H+]1CCO[C@H](CNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000112373946 543444004 /nfs/dbraw/zinc/44/40/04/543444004.db2.gz NQCBEDUXDAVVKO-CQSZACIVSA-N 1 2 365.275 2.259 10 0 FEAELO C[N@H+]1CCO[C@H](CNCc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000112373946 543444006 /nfs/dbraw/zinc/44/40/06/543444006.db2.gz NQCBEDUXDAVVKO-CQSZACIVSA-N 1 2 365.275 2.259 10 0 FEAELO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cs1)C1CC1 ZINC000114720309 543531538 /nfs/dbraw/zinc/53/15/38/543531538.db2.gz QMQJYPCQMGHTST-CQSZACIVSA-N 1 2 360.487 2.162 10 0 FEAELO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cs1)C1CC1 ZINC000114720309 543531541 /nfs/dbraw/zinc/53/15/41/543531541.db2.gz QMQJYPCQMGHTST-CQSZACIVSA-N 1 2 360.487 2.162 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000115390188 543565102 /nfs/dbraw/zinc/56/51/02/543565102.db2.gz VYWLLXNCKISHSR-UHFFFAOYSA-N 1 2 352.482 2.413 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2cccc3c2N=S=N3)CC[N@@H+]1CCOC ZINC000117372278 543630410 /nfs/dbraw/zinc/63/04/10/543630410.db2.gz FOQMFLZFUZPBBH-LBPRGKRZSA-N 1 2 370.500 2.144 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2cccc3c2N=S=N3)CC[N@H+]1CCOC ZINC000117372278 543630413 /nfs/dbraw/zinc/63/04/13/543630413.db2.gz FOQMFLZFUZPBBH-LBPRGKRZSA-N 1 2 370.500 2.144 10 0 FEAELO COc1c(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(C)nn1C ZINC000128939383 544081569 /nfs/dbraw/zinc/08/15/69/544081569.db2.gz LICQEKKQLVKVAD-UHFFFAOYSA-N 1 2 360.433 2.224 10 0 FEAELO COc1c(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c(C)nn1C ZINC000128939383 544081572 /nfs/dbraw/zinc/08/15/72/544081572.db2.gz LICQEKKQLVKVAD-UHFFFAOYSA-N 1 2 360.433 2.224 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2scnc2C2CC2)nc[nH+]1 ZINC000128788043 544073150 /nfs/dbraw/zinc/07/31/50/544073150.db2.gz WALMNSUPLQYYOJ-LBPRGKRZSA-N 1 2 358.471 2.251 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2scnc2C2CC2)[nH+]cn1 ZINC000128788043 544073153 /nfs/dbraw/zinc/07/31/53/544073153.db2.gz WALMNSUPLQYYOJ-LBPRGKRZSA-N 1 2 358.471 2.251 10 0 FEAELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1OCC(=O)N(C)C ZINC000131520134 544193331 /nfs/dbraw/zinc/19/33/31/544193331.db2.gz JSBRTFXOCLZJOK-AWEZNQCLSA-N 1 2 350.459 2.316 10 0 FEAELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1OCC(=O)N(C)C ZINC000131520134 544193332 /nfs/dbraw/zinc/19/33/32/544193332.db2.gz JSBRTFXOCLZJOK-AWEZNQCLSA-N 1 2 350.459 2.316 10 0 FEAELO O=C(NCCCn1cc[nH+]c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000132273921 544225134 /nfs/dbraw/zinc/22/51/34/544225134.db2.gz HFUJTANPYGMKFW-BBRMVZONSA-N 1 2 350.369 2.069 10 0 FEAELO CC(C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000133324933 544265335 /nfs/dbraw/zinc/26/53/35/544265335.db2.gz DCYCVBSLUZJIGV-ZWKOTPCHSA-N 1 2 363.502 2.188 10 0 FEAELO COCCC(=O)N1CCC(Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000133412851 544268726 /nfs/dbraw/zinc/26/87/26/544268726.db2.gz CIUSWXUXUWITER-OAHLLOKOSA-N 1 2 361.490 2.152 10 0 FEAELO COCCC(=O)N1CCC(Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000133412851 544268727 /nfs/dbraw/zinc/26/87/27/544268727.db2.gz CIUSWXUXUWITER-OAHLLOKOSA-N 1 2 361.490 2.152 10 0 FEAELO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1-c1ccccn1 ZINC000133465978 544271211 /nfs/dbraw/zinc/27/12/11/544271211.db2.gz CGGMMTYGZOEVCU-QGZVFWFLSA-N 1 2 367.449 2.304 10 0 FEAELO Cc1noc(C2CC2)c1NC(=O)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000134773090 544321024 /nfs/dbraw/zinc/32/10/24/544321024.db2.gz VJBPDVDEETVTKQ-UHFFFAOYSA-N 1 2 371.441 2.241 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)C3CCOCC3)CC2)cs1 ZINC000134903592 544326289 /nfs/dbraw/zinc/32/62/89/544326289.db2.gz ODYKTMKJPMUGCN-AWEZNQCLSA-N 1 2 366.531 2.484 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)C3CCOCC3)CC2)cs1 ZINC000134903592 544326290 /nfs/dbraw/zinc/32/62/90/544326290.db2.gz ODYKTMKJPMUGCN-AWEZNQCLSA-N 1 2 366.531 2.484 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000150952544 544490290 /nfs/dbraw/zinc/49/02/90/544490290.db2.gz BMEXKXAKXXWWTL-NVXWUHKLSA-N 1 2 359.470 2.181 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000150952544 544490295 /nfs/dbraw/zinc/49/02/95/544490295.db2.gz BMEXKXAKXXWWTL-NVXWUHKLSA-N 1 2 359.470 2.181 10 0 FEAELO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1=O ZINC000151609306 544562396 /nfs/dbraw/zinc/56/23/96/544562396.db2.gz MDXGIPPSPLQHPI-ZIAGYGMSSA-N 1 2 355.442 2.079 10 0 FEAELO CC(C)C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1nc(-c2nc[nH]n2)no1 ZINC000179805913 327660646 /nfs/dbraw/zinc/66/06/46/327660646.db2.gz HPXHXJSOSNJJIU-CHWSQXEVSA-N 1 2 356.434 2.343 10 0 FEAELO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181537375 327734795 /nfs/dbraw/zinc/73/47/95/327734795.db2.gz ADPUJEQQDIRIJY-YOEHRIQHSA-N 1 2 364.873 2.482 10 0 FEAELO CCc1c(C(=O)NC[C@H](C)[NH+]2CCOCC2)cnn1-c1ccccc1C ZINC000184386353 327865015 /nfs/dbraw/zinc/86/50/15/327865015.db2.gz YASIWHRMMRXFDS-INIZCTEOSA-N 1 2 356.470 2.194 10 0 FEAELO C[C@H](NC(=O)[C@@H]1COCCN1CC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000187368047 328019939 /nfs/dbraw/zinc/01/99/39/328019939.db2.gz SIMJHPWPUSUTFL-BBRMVZONSA-N 1 2 364.396 2.015 10 0 FEAELO Cc1ccc(-n2cc(NC(=O)NC[C@H](C)[NH+]3CCOCC3)cn2)c(C)c1 ZINC000189669528 328161097 /nfs/dbraw/zinc/16/10/97/328161097.db2.gz SIUWNQSLZGHZHF-INIZCTEOSA-N 1 2 357.458 2.331 10 0 FEAELO O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190122299 328189582 /nfs/dbraw/zinc/18/95/82/328189582.db2.gz SNVJWGJFBUYUMB-CVEARBPZSA-N 1 2 367.371 2.497 10 0 FEAELO Cc1[nH]ncc1CCCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190677211 328224211 /nfs/dbraw/zinc/22/42/11/328224211.db2.gz MJINGUASANOAJA-SFHVURJKSA-N 1 2 370.501 2.209 10 0 FEAELO CCC(C)(C)CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000190760306 328230756 /nfs/dbraw/zinc/23/07/56/328230756.db2.gz WSJPMVQTAMTPSA-QGZVFWFLSA-N 1 2 363.502 2.190 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)cn1 ZINC000190817591 328234166 /nfs/dbraw/zinc/23/41/66/328234166.db2.gz FZRYIYDPUJNGJV-INIZCTEOSA-N 1 2 373.844 2.138 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CCO2)cn1 ZINC000190817591 328234167 /nfs/dbraw/zinc/23/41/67/328234167.db2.gz FZRYIYDPUJNGJV-INIZCTEOSA-N 1 2 373.844 2.138 10 0 FEAELO C[C@@H](CNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)[NH+]1CCOCC1 ZINC000190978766 328243251 /nfs/dbraw/zinc/24/32/51/328243251.db2.gz MXRBRYFIFANXHG-STQMWFEESA-N 1 2 351.413 2.327 10 0 FEAELO CCn1cc([C@H]2C[N@H+](Cc3ccc(O[C@@H](C)C(=O)OC)cc3)CCO2)cn1 ZINC000191701593 328277658 /nfs/dbraw/zinc/27/76/58/328277658.db2.gz NOMQZEWYJDWJQW-HNAYVOBHSA-N 1 2 373.453 2.417 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](Cc3ccc(O[C@@H](C)C(=O)OC)cc3)CCO2)cn1 ZINC000191701593 328277659 /nfs/dbraw/zinc/27/76/59/328277659.db2.gz NOMQZEWYJDWJQW-HNAYVOBHSA-N 1 2 373.453 2.417 10 0 FEAELO CC(=O)NC1C[NH+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC000191728842 328279053 /nfs/dbraw/zinc/27/90/53/328279053.db2.gz AOIRDZMIZFWPDC-IFMALSPDSA-N 1 2 368.477 2.282 10 0 FEAELO CCCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000191916964 328288585 /nfs/dbraw/zinc/28/85/85/328288585.db2.gz LTQBRDAPAHRTFV-CRAIPNDOSA-N 1 2 362.470 2.277 10 0 FEAELO COC(=O)c1coc(CN2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000191981038 328291613 /nfs/dbraw/zinc/29/16/13/328291613.db2.gz NQYQNHKLDSLSOT-UHFFFAOYSA-N 1 2 366.458 2.304 10 0 FEAELO COC(=O)c1coc(CN2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000191981038 328291614 /nfs/dbraw/zinc/29/16/14/328291614.db2.gz NQYQNHKLDSLSOT-UHFFFAOYSA-N 1 2 366.458 2.304 10 0 FEAELO CC[C@@H](O)C[NH+]1CCN(C(=O)c2scc(C)c2Br)CC1 ZINC000192041180 328296206 /nfs/dbraw/zinc/29/62/06/328296206.db2.gz BROKXARHKGCYPN-LLVKDONJSA-N 1 2 361.305 2.348 10 0 FEAELO CCOC(=O)[C@@H](NC1CC[NH+](CC(=O)OC)CC1)c1ccc(Cl)cc1 ZINC000192949791 328348697 /nfs/dbraw/zinc/34/86/97/328348697.db2.gz DFSHHWRMVFBTIS-KRWDZBQOSA-N 1 2 368.861 2.171 10 0 FEAELO CCCNc1ccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000193031195 328353033 /nfs/dbraw/zinc/35/30/33/328353033.db2.gz UTCKZLAUZYAWJM-UHFFFAOYSA-N 1 2 367.497 2.342 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000081595385 325187879 /nfs/dbraw/zinc/18/78/79/325187879.db2.gz JSHPEVQJLYXSJO-IAGOWNOFSA-N 1 2 371.510 2.328 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CCC(=O)NCc1ccccc1Cl ZINC000083066884 325212589 /nfs/dbraw/zinc/21/25/89/325212589.db2.gz CEJUCRMQMWMRMN-UHFFFAOYSA-N 1 2 369.874 2.178 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000083066859 325212640 /nfs/dbraw/zinc/21/26/40/325212640.db2.gz OKENFWFCGBHOHF-CHWSQXEVSA-N 1 2 367.446 2.223 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000083066649 325212972 /nfs/dbraw/zinc/21/29/72/325212972.db2.gz FNOAJKDMNLXVSD-ZIAGYGMSSA-N 1 2 361.467 2.184 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000083694850 325221948 /nfs/dbraw/zinc/22/19/48/325221948.db2.gz JLQFADQPJAPKDY-MRXNPFEDSA-N 1 2 367.457 2.469 10 0 FEAELO C[C@@H](CNC(=O)NCCc1csc(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000084898971 325246272 /nfs/dbraw/zinc/24/62/72/325246272.db2.gz BRZSQHZJTNHBJK-HNNXBMFYSA-N 1 2 374.510 2.373 10 0 FEAELO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1S(C)(=O)=O ZINC000089301356 325310806 /nfs/dbraw/zinc/31/08/06/325310806.db2.gz LUTNYBTVUFVFKK-HNNXBMFYSA-N 1 2 351.472 2.101 10 0 FEAELO Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1S(C)(=O)=O ZINC000089301356 325310808 /nfs/dbraw/zinc/31/08/08/325310808.db2.gz LUTNYBTVUFVFKK-HNNXBMFYSA-N 1 2 351.472 2.101 10 0 FEAELO O=c1[nH]c(C[NH+]2CCC(Nc3cccnn3)CC2)nc2ccc(Cl)cc21 ZINC000106081786 325577521 /nfs/dbraw/zinc/57/75/21/325577521.db2.gz VYIBKVIHHJQXOP-UHFFFAOYSA-N 1 2 370.844 2.443 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 ZINC000106135088 325585511 /nfs/dbraw/zinc/58/55/11/325585511.db2.gz YOCNVBSTCLCNGK-HZPDHXFCSA-N 1 2 371.485 2.104 10 0 FEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@H](c2nccs2)C1 ZINC000111824280 325737951 /nfs/dbraw/zinc/73/79/51/325737951.db2.gz CQQBKKLUIINZJV-OAHLLOKOSA-N 1 2 373.482 2.290 10 0 FEAELO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116315981 326005793 /nfs/dbraw/zinc/00/57/93/326005793.db2.gz PSBPFZRNTGWPKT-GFCCVEGCSA-N 1 2 362.455 2.086 10 0 FEAELO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116315981 326005794 /nfs/dbraw/zinc/00/57/94/326005794.db2.gz PSBPFZRNTGWPKT-GFCCVEGCSA-N 1 2 362.455 2.086 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C[C@@H]1CC ZINC000116771653 326033388 /nfs/dbraw/zinc/03/33/88/326033388.db2.gz DEGRMGJVUHIDLH-AVRWGWEMSA-N 1 2 366.527 2.138 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C[C@@H]1CC ZINC000116771653 326033389 /nfs/dbraw/zinc/03/33/89/326033389.db2.gz DEGRMGJVUHIDLH-AVRWGWEMSA-N 1 2 366.527 2.138 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)s1 ZINC000120719740 326281992 /nfs/dbraw/zinc/28/19/92/326281992.db2.gz VURZJKSOMPPSIQ-OAGGEKHMSA-N 1 2 364.515 2.092 10 0 FEAELO CC(C)N1CCO[C@@H](C[NH+]2CCN(Cc3cc(F)c(F)cc3F)CC2)C1 ZINC000121069300 326311164 /nfs/dbraw/zinc/31/11/64/326311164.db2.gz JCOKYUYVBBZUQB-INIZCTEOSA-N 1 2 371.447 2.331 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)n1 ZINC000121409324 326336509 /nfs/dbraw/zinc/33/65/09/326336509.db2.gz JATYYVGECJHNIP-AWEZNQCLSA-N 1 2 367.457 2.296 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccccc3NC(C)=O)CC2)n1 ZINC000121517485 326344655 /nfs/dbraw/zinc/34/46/55/326344655.db2.gz YWPPFQOCRKAALG-UHFFFAOYSA-N 1 2 355.442 2.156 10 0 FEAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC(Cn2cccn2)CC1 ZINC000122728240 326407204 /nfs/dbraw/zinc/40/72/04/326407204.db2.gz CVKVJHIRVHZCCK-UHFFFAOYSA-N 1 2 365.441 2.086 10 0 FEAELO COc1ccc(C)nc1NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000127682539 326510783 /nfs/dbraw/zinc/51/07/83/326510783.db2.gz JUKPLOYDQAQTSH-UHFFFAOYSA-N 1 2 372.473 2.099 10 0 FEAELO O=C(C(C1CC1)C1CC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000129610693 326543678 /nfs/dbraw/zinc/54/36/78/326543678.db2.gz CRDPOEBAOYBSDB-SFHVURJKSA-N 1 2 358.482 2.007 10 0 FEAELO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000132627223 326595725 /nfs/dbraw/zinc/59/57/25/326595725.db2.gz YBLPVJYCNNGACE-KSSFIOAISA-N 1 2 356.470 2.008 10 0 FEAELO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2nnc3n2CCCC3)C1=O ZINC000151609437 326686606 /nfs/dbraw/zinc/68/66/06/326686606.db2.gz MDXGIPPSPLQHPI-KGLIPLIRSA-N 1 2 355.442 2.079 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000163385831 327050282 /nfs/dbraw/zinc/05/02/82/327050282.db2.gz OGAJXSNDYZDPBA-GDBMZVCRSA-N 1 2 372.469 2.003 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3cccc(OC)c3)[nH]n2)CC[N@H+]1C[C@@H](C)O ZINC000163385831 327050284 /nfs/dbraw/zinc/05/02/84/327050284.db2.gz OGAJXSNDYZDPBA-GDBMZVCRSA-N 1 2 372.469 2.003 10 0 FEAELO Cc1cc(C(=O)NC2CC[NH+](Cc3nnc(C4CC4)n3C)CC2)c(C)o1 ZINC000170775485 327098267 /nfs/dbraw/zinc/09/82/67/327098267.db2.gz XZDHCCAUKMRBSX-UHFFFAOYSA-N 1 2 357.458 2.297 10 0 FEAELO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000170942652 327108939 /nfs/dbraw/zinc/10/89/39/327108939.db2.gz DUAOKDZCOALCDK-ROUUACIJSA-N 1 2 369.513 2.293 10 0 FEAELO Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000171288416 327130094 /nfs/dbraw/zinc/13/00/94/327130094.db2.gz GGHDRHCLMVBKGA-KRWDZBQOSA-N 1 2 374.510 2.028 10 0 FEAELO Cc1cc(C)cc(-n2ccnc2SCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000171288416 327130096 /nfs/dbraw/zinc/13/00/96/327130096.db2.gz GGHDRHCLMVBKGA-KRWDZBQOSA-N 1 2 374.510 2.028 10 0 FEAELO COc1cccc2sc(NC(=O)C[N@@H+]3CCC[C@@H](n4cncn4)C3)nc21 ZINC000171525969 327143875 /nfs/dbraw/zinc/14/38/75/327143875.db2.gz YJNPKFOSVFZMHJ-GFCCVEGCSA-N 1 2 372.454 2.172 10 0 FEAELO COc1cccc2sc(NC(=O)C[N@H+]3CCC[C@@H](n4cncn4)C3)nc21 ZINC000171525969 327143877 /nfs/dbraw/zinc/14/38/77/327143877.db2.gz YJNPKFOSVFZMHJ-GFCCVEGCSA-N 1 2 372.454 2.172 10 0 FEAELO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171666697 327153587 /nfs/dbraw/zinc/15/35/87/327153587.db2.gz CVUUHBSVERZLJJ-OAHLLOKOSA-N 1 2 357.435 2.203 10 0 FEAELO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171666697 327153588 /nfs/dbraw/zinc/15/35/88/327153588.db2.gz CVUUHBSVERZLJJ-OAHLLOKOSA-N 1 2 357.435 2.203 10 0 FEAELO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2)n1 ZINC000172749835 327216614 /nfs/dbraw/zinc/21/66/14/327216614.db2.gz ZMQAKJFXJLLMKO-FQEVSTJZSA-N 1 2 368.481 2.095 10 0 FEAELO CCCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1OCC ZINC000172754622 327217159 /nfs/dbraw/zinc/21/71/59/327217159.db2.gz OAOCMPAPPFYBQC-KRWDZBQOSA-N 1 2 362.470 2.421 10 0 FEAELO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172754580 327217186 /nfs/dbraw/zinc/21/71/86/327217186.db2.gz XWHWJNVHXUESBJ-SFHVURJKSA-N 1 2 354.454 2.036 10 0 FEAELO CCOc1ccccc1OCCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754550 327217219 /nfs/dbraw/zinc/21/72/19/327217219.db2.gz KWGZJJZVYJNROX-QGZVFWFLSA-N 1 2 362.470 2.177 10 0 FEAELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc(C)c1OC(F)F ZINC000172755450 327217254 /nfs/dbraw/zinc/21/72/54/327217254.db2.gz RCMSFXHOMCKPEF-HNNXBMFYSA-N 1 2 354.397 2.452 10 0 FEAELO COC(=O)[C@H](c1ccccc1F)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000173335767 327250410 /nfs/dbraw/zinc/25/04/10/327250410.db2.gz LFBCKVZSKYACBS-IBGZPJMESA-N 1 2 374.460 2.208 10 0 FEAELO CCOc1ccc(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000173419267 327254859 /nfs/dbraw/zinc/25/48/59/327254859.db2.gz QBEVROMSKTTYOG-HNNXBMFYSA-N 1 2 355.442 2.316 10 0 FEAELO CCOc1ccc(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)cc1 ZINC000173419267 327254860 /nfs/dbraw/zinc/25/48/60/327254860.db2.gz QBEVROMSKTTYOG-HNNXBMFYSA-N 1 2 355.442 2.316 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2c(C)cccc2C)nc[nH+]1 ZINC000173424244 327255540 /nfs/dbraw/zinc/25/55/40/327255540.db2.gz JWQGFRZNRDGVPF-INIZCTEOSA-N 1 2 369.469 2.299 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2c(C)cccc2C)[nH+]cn1 ZINC000173424244 327255541 /nfs/dbraw/zinc/25/55/41/327255541.db2.gz JWQGFRZNRDGVPF-INIZCTEOSA-N 1 2 369.469 2.299 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)C(C2CC2)C2CC2)nc[nH+]1 ZINC000173425310 327255980 /nfs/dbraw/zinc/25/59/80/327255980.db2.gz MQGNDLQTNJOWHK-OAHLLOKOSA-N 1 2 358.490 2.317 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)C(C2CC2)C2CC2)[nH+]cn1 ZINC000173425310 327255982 /nfs/dbraw/zinc/25/59/82/327255982.db2.gz MQGNDLQTNJOWHK-OAHLLOKOSA-N 1 2 358.490 2.317 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2cccc(OC)c2)nc[nH+]1 ZINC000173424938 327255996 /nfs/dbraw/zinc/25/59/96/327255996.db2.gz VGJNKDBPHRTRSN-INIZCTEOSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2cccc(OC)c2)[nH+]cn1 ZINC000173424938 327255998 /nfs/dbraw/zinc/25/59/98/327255998.db2.gz VGJNKDBPHRTRSN-INIZCTEOSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc3ncccc32)nc[nH+]1 ZINC000173425247 327256025 /nfs/dbraw/zinc/25/60/25/327256025.db2.gz KGSSMQALVHIYLA-AWEZNQCLSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc3ncccc32)[nH+]cn1 ZINC000173425247 327256027 /nfs/dbraw/zinc/25/60/27/327256027.db2.gz KGSSMQALVHIYLA-AWEZNQCLSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Oc2cccc(C)c2)nc[nH+]1 ZINC000173443969 327257598 /nfs/dbraw/zinc/25/75/98/327257598.db2.gz BMTTUOGZWLBRRE-HOTGVXAUSA-N 1 2 369.469 2.379 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Oc2cccc(C)c2)[nH+]cn1 ZINC000173443969 327257599 /nfs/dbraw/zinc/25/75/99/327257599.db2.gz BMTTUOGZWLBRRE-HOTGVXAUSA-N 1 2 369.469 2.379 10 0 FEAELO Cc1csc([C@H]2CCCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)n1 ZINC000173490699 327261040 /nfs/dbraw/zinc/26/10/40/327261040.db2.gz XKVVNKRHJIOJQB-HNNXBMFYSA-N 1 2 366.531 2.451 10 0 FEAELO Cc1csc([C@H]2CCCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)n1 ZINC000173490699 327261041 /nfs/dbraw/zinc/26/10/41/327261041.db2.gz XKVVNKRHJIOJQB-HNNXBMFYSA-N 1 2 366.531 2.451 10 0 FEAELO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173731113 327279724 /nfs/dbraw/zinc/27/97/24/327279724.db2.gz GUVHXZYTOSOXEJ-ZDUSSCGKSA-N 1 2 370.272 2.499 10 0 FEAELO CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1C ZINC000173732028 327279783 /nfs/dbraw/zinc/27/97/83/327279783.db2.gz YNBIPRYXSIHWKM-OAHLLOKOSA-N 1 2 362.455 2.003 10 0 FEAELO CCN(CCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173769276 327282763 /nfs/dbraw/zinc/28/27/63/327282763.db2.gz FYAKESSKZRVOBK-IBGZPJMESA-N 1 2 360.502 2.019 10 0 FEAELO O=C(NCc1cccnc1OC1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173783888 327283837 /nfs/dbraw/zinc/28/38/37/327283837.db2.gz MOTNVWQWBJYBOQ-QGZVFWFLSA-N 1 2 374.485 2.019 10 0 FEAELO C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173807823 327285426 /nfs/dbraw/zinc/28/54/26/327285426.db2.gz YCUUXXZQAIGFIK-KSSFIOAISA-N 1 2 374.872 2.318 10 0 FEAELO CC(C)(C)NC(=O)c1cccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173816277 327286004 /nfs/dbraw/zinc/28/60/04/327286004.db2.gz WPONTGVHHKROJL-KRWDZBQOSA-N 1 2 374.485 2.153 10 0 FEAELO CCOc1ccc2cc(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)[nH]c2c1 ZINC000173819236 327286402 /nfs/dbraw/zinc/28/64/02/327286402.db2.gz PCQIHVFVXRUZKL-KUHUBIRLSA-N 1 2 357.454 2.359 10 0 FEAELO C[C@H]1CN(C(=O)CCC(=O)c2ccc(Cl)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173838872 327288032 /nfs/dbraw/zinc/28/80/32/327288032.db2.gz SEFCHIUKTWGZKC-WMLDXEAASA-N 1 2 364.873 2.482 10 0 FEAELO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1OC(F)F ZINC000173843472 327288316 /nfs/dbraw/zinc/28/83/16/327288316.db2.gz RADFVEDVUUTYJZ-JSGCOSHPSA-N 1 2 370.396 2.089 10 0 FEAELO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c2c(n1)onc2C(C)C ZINC000173877218 327290523 /nfs/dbraw/zinc/29/05/23/327290523.db2.gz ZCAKODAGVGLONX-CZUORRHYSA-N 1 2 372.469 2.447 10 0 FEAELO Cc1cnn(-c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2F)c1 ZINC000173904023 327293423 /nfs/dbraw/zinc/29/34/23/327293423.db2.gz ASPIPGVTSOXFRC-MRXNPFEDSA-N 1 2 373.432 2.258 10 0 FEAELO C[C@@H](NC(=O)CNC(=O)OCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914786 327294094 /nfs/dbraw/zinc/29/40/94/327294094.db2.gz WMHLOAULALXWFH-LLVKDONJSA-N 1 2 370.331 2.338 10 0 FEAELO C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920090 327294454 /nfs/dbraw/zinc/29/44/54/327294454.db2.gz MLWRZAVLDBNTIM-AWEZNQCLSA-N 1 2 359.393 2.339 10 0 FEAELO C[C@@H](Sc1nncn1C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930169 327295302 /nfs/dbraw/zinc/29/53/02/327295302.db2.gz MNHILVODUAQNBK-QWHCGFSZSA-N 1 2 356.455 2.359 10 0 FEAELO CCCc1c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)[nH]c(C)c1C(C)=O ZINC000173969373 327298499 /nfs/dbraw/zinc/29/84/99/327298499.db2.gz 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C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000176238627 546423088 /nfs/dbraw/zinc/42/30/88/546423088.db2.gz ODZLCNBCFCVBSN-LAUBAEHRSA-N 1 2 370.497 2.009 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)c2cc(C3CC3)n[nH]2)[NH+]2CCOCC2)s1 ZINC000176548252 546459571 /nfs/dbraw/zinc/45/95/71/546459571.db2.gz GRJLQDONSFYEFX-MRXNPFEDSA-N 1 2 360.483 2.460 10 0 FEAELO Cc1cc(C)n(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)n1 ZINC000176596227 546466301 /nfs/dbraw/zinc/46/63/01/546466301.db2.gz KLJIZKKDKKFTRB-HZPDHXFCSA-N 1 2 362.499 2.140 10 0 FEAELO Cc1cc(C)n(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)n1 ZINC000176596227 546466305 /nfs/dbraw/zinc/46/63/05/546466305.db2.gz KLJIZKKDKKFTRB-HZPDHXFCSA-N 1 2 362.499 2.140 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176659643 546473625 /nfs/dbraw/zinc/47/36/25/546473625.db2.gz PSHALIJZFKBTGK-HNNXBMFYSA-N 1 2 357.414 2.066 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176659643 546473627 /nfs/dbraw/zinc/47/36/27/546473627.db2.gz PSHALIJZFKBTGK-HNNXBMFYSA-N 1 2 357.414 2.066 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(C)nc2C)nc[nH+]1 ZINC000176749967 546483471 /nfs/dbraw/zinc/48/34/71/546483471.db2.gz DUTOTIPESIWNIJ-AWEZNQCLSA-N 1 2 355.446 2.321 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(C)nc2C)[nH+]cn1 ZINC000176749967 546483475 /nfs/dbraw/zinc/48/34/75/546483475.db2.gz DUTOTIPESIWNIJ-AWEZNQCLSA-N 1 2 355.446 2.321 10 0 FEAELO CC[C@H]1CN(C(=O)c2sc([C@@H](C)OC)nc2C)CC[N@@H+]1CCOC ZINC000176756724 546484641 /nfs/dbraw/zinc/48/46/41/546484641.db2.gz GDOYVKFPMCWKQY-KGLIPLIRSA-N 1 2 355.504 2.342 10 0 FEAELO CC[C@H]1CN(C(=O)c2sc([C@@H](C)OC)nc2C)CC[N@H+]1CCOC ZINC000176756724 546484643 /nfs/dbraw/zinc/48/46/43/546484643.db2.gz GDOYVKFPMCWKQY-KGLIPLIRSA-N 1 2 355.504 2.342 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000176911170 546507182 /nfs/dbraw/zinc/50/71/82/546507182.db2.gz QIGQAMQMXSNKJL-JTQLQIEISA-N 1 2 357.382 2.123 10 0 FEAELO CC(C)c1nc([C@@H]2CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)no1 ZINC000177349032 546598626 /nfs/dbraw/zinc/59/86/26/546598626.db2.gz MMHAIXRJBWHZNP-AWEZNQCLSA-N 1 2 365.478 2.150 10 0 FEAELO O=C(N[C@H]1CCCn2ncnc21)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000177528343 546637477 /nfs/dbraw/zinc/63/74/77/546637477.db2.gz QZMKHZZRCXGQTJ-JKSUJKDBSA-N 1 2 357.483 2.019 10 0 FEAELO CC(=O)CCc1ccc(OCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177805084 546690239 /nfs/dbraw/zinc/69/02/39/546690239.db2.gz PGMQPWMKXGXPEP-GOSISDBHSA-N 1 2 355.438 2.475 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)CC2(O)CCCC2)c2cccs2)CCO1 ZINC000177978665 546716431 /nfs/dbraw/zinc/71/64/31/546716431.db2.gz MYKJDLQDBCPPDL-CABCVRRESA-N 1 2 352.500 2.321 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)CC2(O)CCCC2)c2cccs2)CCO1 ZINC000177978665 546716437 /nfs/dbraw/zinc/71/64/37/546716437.db2.gz MYKJDLQDBCPPDL-CABCVRRESA-N 1 2 352.500 2.321 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCCc3ccccn3)CC2)s1 ZINC000178422396 546791385 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C[C@@H]1C[NH+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000051115876 540422938 /nfs/dbraw/zinc/42/29/38/540422938.db2.gz BQACZJAFMUBXBB-CHWSQXEVSA-N 1 2 360.376 2.310 10 0 FEAELO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000075863205 542210958 /nfs/dbraw/zinc/21/09/58/542210958.db2.gz DBVQCKJFRPJUGG-QAPCUYQASA-N 1 2 365.905 2.002 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000077367039 542373462 /nfs/dbraw/zinc/37/34/62/542373462.db2.gz LBONTZLJMUMVOA-BETUJISGSA-N 1 2 360.376 2.353 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000077367039 542373466 /nfs/dbraw/zinc/37/34/66/542373466.db2.gz LBONTZLJMUMVOA-BETUJISGSA-N 1 2 360.376 2.353 10 0 FEAELO CS(=O)(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(Cl)s1)C2 ZINC000082096478 542682895 /nfs/dbraw/zinc/68/28/95/542682895.db2.gz SCEMFWPAQLLNSC-UHFFFAOYSA-N 1 2 374.919 2.053 10 0 FEAELO CS(=O)(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000082096478 542682897 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C[C@H](CNC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000105124269 543160617 /nfs/dbraw/zinc/16/06/17/543160617.db2.gz POQZYONOJILATG-XLIONFOSSA-N 1 2 368.481 2.323 10 0 FEAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070432 543189120 /nfs/dbraw/zinc/18/91/20/543189120.db2.gz WQDGPQGXHHUHCL-HNNXBMFYSA-N 1 2 367.453 2.219 10 0 FEAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070432 543189121 /nfs/dbraw/zinc/18/91/21/543189121.db2.gz WQDGPQGXHHUHCL-HNNXBMFYSA-N 1 2 367.453 2.219 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000106078391 543191625 /nfs/dbraw/zinc/19/16/25/543191625.db2.gz MPZKHULPYGKUSQ-SFHVURJKSA-N 1 2 367.453 2.219 10 0 FEAELO CC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000106078391 543191626 /nfs/dbraw/zinc/19/16/26/543191626.db2.gz MPZKHULPYGKUSQ-SFHVURJKSA-N 1 2 367.453 2.219 10 0 FEAELO CCN(C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2nc(C)no2)CC1)c1ccccc1 ZINC000106133843 543206302 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CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cn1 ZINC000109662587 543333296 /nfs/dbraw/zinc/33/32/96/543333296.db2.gz ZLOVQBHZFACZNW-UHFFFAOYSA-N 1 2 372.469 2.268 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(OC)cc3O)CC2)cn1 ZINC000109663986 543333303 /nfs/dbraw/zinc/33/33/03/543333303.db2.gz LMJPCWRBGGGQJW-UHFFFAOYSA-N 1 2 372.469 2.355 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(OC)cc3O)CC2)cn1 ZINC000109663986 543333304 /nfs/dbraw/zinc/33/33/04/543333304.db2.gz LMJPCWRBGGGQJW-UHFFFAOYSA-N 1 2 372.469 2.355 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)s1 ZINC000110939397 543374792 /nfs/dbraw/zinc/37/47/92/543374792.db2.gz AHRDYGVSNVGQKL-UHFFFAOYSA-N 1 2 369.450 2.460 10 0 FEAELO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCO[C@H](c2nccs2)C1 ZINC000111814339 543417117 /nfs/dbraw/zinc/41/71/17/543417117.db2.gz PGPONRZHWULIAC-HNNXBMFYSA-N 1 2 373.482 2.421 10 0 FEAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCO[C@@H](c2nccs2)C1 ZINC000111815666 543417645 /nfs/dbraw/zinc/41/76/45/543417645.db2.gz 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ZINC000131278054 544183642 /nfs/dbraw/zinc/18/36/42/544183642.db2.gz YJJMBVWWWDOARO-UONOGXRCSA-N 1 2 356.492 2.002 10 0 FEAELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(S(C)(=O)=O)C2)no1 ZINC000131278054 544183643 /nfs/dbraw/zinc/18/36/43/544183643.db2.gz YJJMBVWWWDOARO-UONOGXRCSA-N 1 2 356.492 2.002 10 0 FEAELO O=C(NCCn1cc[nH+]c1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000132139317 544220651 /nfs/dbraw/zinc/22/06/51/544220651.db2.gz LQEKRPJICSFYEU-CABCVRRESA-N 1 2 368.359 2.419 10 0 FEAELO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000132169535 544221611 /nfs/dbraw/zinc/22/16/11/544221611.db2.gz ORAFGRRLCSLAMJ-WQVCFCJDSA-N 1 2 355.866 2.046 10 0 FEAELO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000132169535 544221613 /nfs/dbraw/zinc/22/16/13/544221613.db2.gz ORAFGRRLCSLAMJ-WQVCFCJDSA-N 1 2 355.866 2.046 10 0 FEAELO Cn1ccnc1C[C@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000136966285 544381842 /nfs/dbraw/zinc/38/18/42/544381842.db2.gz MYBBHFBRZNRQLZ-MRXNPFEDSA-N 1 2 370.501 2.160 10 0 FEAELO CC(C)(C)OC[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000151174883 544513591 /nfs/dbraw/zinc/51/35/91/544513591.db2.gz QVAHOTVKYIDCBL-MRXNPFEDSA-N 1 2 354.878 2.160 10 0 FEAELO CC(C)(C)OC[C@H](O)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000151174883 544513597 /nfs/dbraw/zinc/51/35/97/544513597.db2.gz QVAHOTVKYIDCBL-MRXNPFEDSA-N 1 2 354.878 2.160 10 0 FEAELO C[C@@H](Sc1ccccn1)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000152299527 544635499 /nfs/dbraw/zinc/63/54/99/544635499.db2.gz YRNGTDKGVSEFEX-AEFFLSMTSA-N 1 2 371.506 2.440 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152690912 544684479 /nfs/dbraw/zinc/68/44/79/544684479.db2.gz JYTLRKPQTFHZCR-CABCVRRESA-N 1 2 360.458 2.034 10 0 FEAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152944008 544713679 /nfs/dbraw/zinc/71/36/79/544713679.db2.gz NVXDTNCDOJVQCF-ARFHVFGLSA-N 1 2 374.485 2.470 10 0 FEAELO C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000153384127 544768510 /nfs/dbraw/zinc/76/85/10/544768510.db2.gz LECKMZHZKGRETA-GJZGRUSLSA-N 1 2 350.463 2.283 10 0 FEAELO O=C(CC(c1ccccc1)c1ccccc1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000154116239 544866472 /nfs/dbraw/zinc/86/64/72/544866472.db2.gz NBVWABSKHMAYGR-FQEVSTJZSA-N 1 2 368.477 2.018 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000155198410 545000357 /nfs/dbraw/zinc/00/03/57/545000357.db2.gz BAJXWPSMGGZVAR-MJGOQNOKSA-N 1 2 356.470 2.021 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000155198410 545000359 /nfs/dbraw/zinc/00/03/59/545000359.db2.gz BAJXWPSMGGZVAR-MJGOQNOKSA-N 1 2 356.470 2.021 10 0 FEAELO COC1(CNC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)CCC1 ZINC000181630636 327739188 /nfs/dbraw/zinc/73/91/88/327739188.db2.gz UBUVKBQMBDCDRJ-HNNXBMFYSA-N 1 2 367.515 2.298 10 0 FEAELO CN(C(=O)c1cc(F)c(O)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000186798514 327983076 /nfs/dbraw/zinc/98/30/76/327983076.db2.gz MEVFETUPYRQWCU-UHFFFAOYSA-N 1 2 364.396 2.104 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccccc2SC)CC[N@@H+]1CCOC ZINC000187240265 328010672 /nfs/dbraw/zinc/01/06/72/328010672.db2.gz YYKILJDGXUOLJC-AWEZNQCLSA-N 1 2 358.529 2.140 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccccc2SC)CC[N@H+]1CCOC ZINC000187240265 328010673 /nfs/dbraw/zinc/01/06/73/328010673.db2.gz YYKILJDGXUOLJC-AWEZNQCLSA-N 1 2 358.529 2.140 10 0 FEAELO O=C(Cc1cncs1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000188001562 328059420 /nfs/dbraw/zinc/05/94/20/328059420.db2.gz PXRYTYXXVWCAPW-UHFFFAOYSA-N 1 2 367.478 2.216 10 0 FEAELO COc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(OCC2CC2)c1 ZINC000188518401 328092198 /nfs/dbraw/zinc/09/21/98/328092198.db2.gz XQPBFGNHHURNRE-KXBFYZLASA-N 1 2 374.481 2.277 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000189327506 328141088 /nfs/dbraw/zinc/14/10/88/328141088.db2.gz OUXXVSLIVVXMPZ-GRDNDAEWSA-N 1 2 372.425 2.061 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000189327506 328141090 /nfs/dbraw/zinc/14/10/90/328141090.db2.gz OUXXVSLIVVXMPZ-GRDNDAEWSA-N 1 2 372.425 2.061 10 0 FEAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@@H]1CCCn2ncnc21 ZINC000190697513 328225585 /nfs/dbraw/zinc/22/55/85/328225585.db2.gz OSJBDAWYAQALQG-MRXNPFEDSA-N 1 2 374.876 2.124 10 0 FEAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@@H]1CCCn2ncnc21 ZINC000190697513 328225587 /nfs/dbraw/zinc/22/55/87/328225587.db2.gz OSJBDAWYAQALQG-MRXNPFEDSA-N 1 2 374.876 2.124 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](CCC(=O)N3CCc4ccccc43)CCO2)cn1 ZINC000190730206 328228513 /nfs/dbraw/zinc/22/85/13/328228513.db2.gz YEQWKMKOKLLRTQ-IBGZPJMESA-N 1 2 354.454 2.256 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)N3CCc4ccccc43)CCO2)cn1 ZINC000190730206 328228514 /nfs/dbraw/zinc/22/85/14/328228514.db2.gz YEQWKMKOKLLRTQ-IBGZPJMESA-N 1 2 354.454 2.256 10 0 FEAELO CCOCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000190744937 328229402 /nfs/dbraw/zinc/22/94/02/328229402.db2.gz LZLCLKCHXZNUEY-QGZVFWFLSA-N 1 2 356.426 2.049 10 0 FEAELO O=C(Nc1cc(F)c(F)cc1Cl)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190759821 328230821 /nfs/dbraw/zinc/23/08/21/328230821.db2.gz YSIQGEPMOUIJIN-SNVBAGLBSA-N 1 2 368.771 2.444 10 0 FEAELO CCn1cc([C@H]2C[N@H+](CCOc3cccc(C(=O)OC)c3)CCO2)cn1 ZINC000190814119 328234053 /nfs/dbraw/zinc/23/40/53/328234053.db2.gz VRVGFJXNXUJAOS-GOSISDBHSA-N 1 2 359.426 2.142 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](CCOc3cccc(C(=O)OC)c3)CCO2)cn1 ZINC000190814119 328234055 /nfs/dbraw/zinc/23/40/55/328234055.db2.gz VRVGFJXNXUJAOS-GOSISDBHSA-N 1 2 359.426 2.142 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](CCOc3cccc(C(=O)OC)c3)CCO2)cn1 ZINC000190814099 328234078 /nfs/dbraw/zinc/23/40/78/328234078.db2.gz VRVGFJXNXUJAOS-SFHVURJKSA-N 1 2 359.426 2.142 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](CCOc3cccc(C(=O)OC)c3)CCO2)cn1 ZINC000190814099 328234080 /nfs/dbraw/zinc/23/40/80/328234080.db2.gz VRVGFJXNXUJAOS-SFHVURJKSA-N 1 2 359.426 2.142 10 0 FEAELO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000191589118 328273111 /nfs/dbraw/zinc/27/31/11/328273111.db2.gz TWGARYXELKENHW-OAHLLOKOSA-N 1 2 363.458 2.095 10 0 FEAELO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000191589118 328273113 /nfs/dbraw/zinc/27/31/13/328273113.db2.gz TWGARYXELKENHW-OAHLLOKOSA-N 1 2 363.458 2.095 10 0 FEAELO CC(C)CCNC(=O)[C@@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979492 328291584 /nfs/dbraw/zinc/29/15/84/328291584.db2.gz JCEMGYILOKUFAH-MRXNPFEDSA-N 1 2 369.550 2.275 10 0 FEAELO CC(C)CCNC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979492 328291586 /nfs/dbraw/zinc/29/15/86/328291586.db2.gz JCEMGYILOKUFAH-MRXNPFEDSA-N 1 2 369.550 2.275 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000194422179 328423632 /nfs/dbraw/zinc/42/36/32/328423632.db2.gz RZVGYYJJXAFECX-ZDUSSCGKSA-N 1 2 367.475 2.183 10 0 FEAELO C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3COc4ccccc43)c[nH+]2)CCO1 ZINC000194697677 328435628 /nfs/dbraw/zinc/43/56/28/328435628.db2.gz SCIFSIVISVNMOQ-WMLDXEAASA-N 1 2 368.437 2.240 10 0 FEAELO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077367324 324988258 /nfs/dbraw/zinc/98/82/58/324988258.db2.gz NFUZMUWJNUONHA-HZPDHXFCSA-N 1 2 370.497 2.274 10 0 FEAELO CNC(=O)CC1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000080710389 325140749 /nfs/dbraw/zinc/14/07/49/325140749.db2.gz VBMIZYYDBGFFMV-OAHLLOKOSA-N 1 2 369.469 2.491 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000083714413 325223375 /nfs/dbraw/zinc/22/33/75/325223375.db2.gz JDYFABOCRSOTPN-OAHLLOKOSA-N 1 2 369.404 2.246 10 0 FEAELO CC[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)Oc1cccc(F)c1 ZINC000084636056 325241011 /nfs/dbraw/zinc/24/10/11/325241011.db2.gz DFKBZLUOQZSKBU-GDBMZVCRSA-N 1 2 353.438 2.003 10 0 FEAELO Cc1ccc(Br)cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000087745485 325284848 /nfs/dbraw/zinc/28/48/48/325284848.db2.gz ICHRUDAIYBMRBA-CQSZACIVSA-N 1 2 353.260 2.304 10 0 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C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173924522 327294940 /nfs/dbraw/zinc/29/49/40/327294940.db2.gz PSSLOZHMHDZUGI-OCCSQVGLSA-N 1 2 355.841 2.213 10 0 FEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173924522 327294941 /nfs/dbraw/zinc/29/49/41/327294941.db2.gz PSSLOZHMHDZUGI-OCCSQVGLSA-N 1 2 355.841 2.213 10 0 FEAELO CCCN(CC)c1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000173957828 327297700 /nfs/dbraw/zinc/29/77/00/327297700.db2.gz OSYKPTABGUHIHY-SJLPKXTDSA-N 1 2 360.502 2.111 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH]c3=S)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173969534 327298410 /nfs/dbraw/zinc/29/84/10/327298410.db2.gz FIPDVLJNNQVLPM-WMLDXEAASA-N 1 2 372.494 2.328 10 0 FEAELO Nc1nc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)nc2sc3c(c21)CCCC3 ZINC000173986000 327299700 /nfs/dbraw/zinc/29/97/00/327299700.db2.gz VASNYZVRFXBUSF-ZDUSSCGKSA-N 1 2 373.526 2.059 10 0 FEAELO Nc1nc(C[N@H+]2CC[C@H](N3CCOCC3)C2)nc2sc3c(c21)CCCC3 ZINC000173986000 327299702 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CNc1cc(N2CCC[C@H]2CNC(=O)Nc2nc(C)c(C)s2)nc[nH+]1 ZINC000174619593 327339058 /nfs/dbraw/zinc/33/90/58/327339058.db2.gz YYIPQAAEBCESKN-LBPRGKRZSA-N 1 2 361.475 2.382 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2nc(C)c(C)s2)[nH+]cn1 ZINC000174619593 327339060 /nfs/dbraw/zinc/33/90/60/327339060.db2.gz YYIPQAAEBCESKN-LBPRGKRZSA-N 1 2 361.475 2.382 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccccc2COC)nc[nH+]1 ZINC000174972646 327364835 /nfs/dbraw/zinc/36/48/35/327364835.db2.gz BOEZMRDEJFWNLZ-OAHLLOKOSA-N 1 2 370.457 2.455 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccccc2COC)[nH+]cn1 ZINC000174972646 327364836 /nfs/dbraw/zinc/36/48/36/327364836.db2.gz BOEZMRDEJFWNLZ-OAHLLOKOSA-N 1 2 370.457 2.455 10 0 FEAELO CCCCN(CCO)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175035581 327369608 /nfs/dbraw/zinc/36/96/08/327369608.db2.gz QMGWBMHIEXCCDL-CVEARBPZSA-N 1 2 369.531 2.314 10 0 FEAELO CCCCN(CCO)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175035581 327369609 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Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3nnc(C(C)C)s3)C2)no1 ZINC000177948358 546712083 /nfs/dbraw/zinc/71/20/83/546712083.db2.gz YNEWFQJDEUHORM-GFCCVEGCSA-N 1 2 364.475 2.246 10 0 FEAELO COCCCCNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000178546406 546810917 /nfs/dbraw/zinc/81/09/17/546810917.db2.gz NAZJGRFEESONGH-HNNXBMFYSA-N 1 2 355.504 2.189 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCOC2)[NH+]2CCOCC2)s1 ZINC000178588181 546816294 /nfs/dbraw/zinc/81/62/94/546816294.db2.gz QIAGUWKIFRJTPY-CVEARBPZSA-N 1 2 367.515 2.156 10 0 FEAELO Cc1cc(CNC(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)on1 ZINC000178618567 546820626 /nfs/dbraw/zinc/82/06/26/546820626.db2.gz HTVDEGXXSFQSGX-OAHLLOKOSA-N 1 2 364.471 2.226 10 0 FEAELO C[C@H]1CN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000179649518 546991915 /nfs/dbraw/zinc/99/19/15/546991915.db2.gz ATCRCEOUXIHBNX-MAUKXSAKSA-N 1 2 374.481 2.435 10 0 FEAELO CCCc1cc(NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)n(C)n1 ZINC000179677668 546996669 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C[C@H](CNC(=O)N1CC[C@@H](c2c(F)cccc2F)C1)[NH+]1CCOCC1 ZINC000184397166 547819791 /nfs/dbraw/zinc/81/97/91/547819791.db2.gz UZBVFQVRXKJTJK-ZIAGYGMSSA-N 1 2 353.413 2.184 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3Cl)CCO2)c1 ZINC000185004676 547916587 /nfs/dbraw/zinc/91/65/87/547916587.db2.gz GNHHBKUIARZVFD-YOEHRIQHSA-N 1 2 353.825 2.418 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3Cl)CCO2)c1 ZINC000185004676 547916591 /nfs/dbraw/zinc/91/65/91/547916591.db2.gz GNHHBKUIARZVFD-YOEHRIQHSA-N 1 2 353.825 2.418 10 0 FEAELO COC(=O)c1ccccc1CCS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000185183338 547947766 /nfs/dbraw/zinc/94/77/66/547947766.db2.gz JIQNCXSOOWLNNU-UHFFFAOYSA-N 1 2 350.440 2.408 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000185755106 548030798 /nfs/dbraw/zinc/03/07/98/548030798.db2.gz UFQXWQIHJBXZRV-AWEZNQCLSA-N 1 2 373.457 2.483 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C1 ZINC000185755106 548030801 /nfs/dbraw/zinc/03/08/01/548030801.db2.gz UFQXWQIHJBXZRV-AWEZNQCLSA-N 1 2 373.457 2.483 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000186394181 548128972 /nfs/dbraw/zinc/12/89/72/548128972.db2.gz KEDYGWYXRZVRRZ-HXUWFJFHSA-N 1 2 362.470 2.160 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)NCCc1ccc(OC(C)C)cc1 ZINC000186394181 548128976 /nfs/dbraw/zinc/12/89/76/548128976.db2.gz KEDYGWYXRZVRRZ-HXUWFJFHSA-N 1 2 362.470 2.160 10 0 FEAELO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000186940849 548224936 /nfs/dbraw/zinc/22/49/36/548224936.db2.gz NAPIFJQEUSZYBL-CQSZACIVSA-N 1 2 374.934 2.286 10 0 FEAELO CCS(=O)(=O)c1c(Cl)cccc1CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000186940849 548224940 /nfs/dbraw/zinc/22/49/40/548224940.db2.gz NAPIFJQEUSZYBL-CQSZACIVSA-N 1 2 374.934 2.286 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000194421408 548479214 /nfs/dbraw/zinc/47/92/14/548479214.db2.gz RVLLCTWRZRDGHR-GOSISDBHSA-N 1 2 361.467 2.085 10 0 FEAELO CCc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000194603803 548503816 /nfs/dbraw/zinc/50/38/16/548503816.db2.gz AFJZKHZMFDQPDI-HNNXBMFYSA-N 1 2 362.861 2.149 10 0 FEAELO CCc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000194603803 548503822 /nfs/dbraw/zinc/50/38/22/548503822.db2.gz AFJZKHZMFDQPDI-HNNXBMFYSA-N 1 2 362.861 2.149 10 0 FEAELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(C)c1OCc1cccnc1 ZINC000194609661 548504283 /nfs/dbraw/zinc/50/42/83/548504283.db2.gz JIWZBVLGIWRCOM-LJQANCHMSA-N 1 2 369.465 2.338 10 0 FEAELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(C)c1OCc1cccnc1 ZINC000194609661 548504286 /nfs/dbraw/zinc/50/42/86/548504286.db2.gz JIWZBVLGIWRCOM-LJQANCHMSA-N 1 2 369.465 2.338 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000194618797 548506823 /nfs/dbraw/zinc/50/68/23/548506823.db2.gz KWVNZCDJPZIOJN-QGZVFWFLSA-N 1 2 358.413 2.465 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000194618797 548506827 /nfs/dbraw/zinc/50/68/27/548506827.db2.gz KWVNZCDJPZIOJN-QGZVFWFLSA-N 1 2 358.413 2.465 10 0 FEAELO O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000245799713 548997531 /nfs/dbraw/zinc/99/75/31/548997531.db2.gz ZVHHFLQZAMACFA-CXAGYDPISA-N 1 2 359.451 2.438 10 0 FEAELO O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000245799713 548997538 /nfs/dbraw/zinc/99/75/38/548997538.db2.gz ZVHHFLQZAMACFA-CXAGYDPISA-N 1 2 359.451 2.438 10 0 FEAELO OC[C@@H]1CCCN1c1cc(N2CCCN(c3ccccc3)CC2)[nH+]cn1 ZINC000246206144 549078523 /nfs/dbraw/zinc/07/85/23/549078523.db2.gz WAMMAEPVGDMJGB-SFHVURJKSA-N 1 2 353.470 2.154 10 0 FEAELO OC[C@@H]1CCCN1c1cc(N2CCCN(c3ccccc3)CC2)nc[nH+]1 ZINC000246206144 549078527 /nfs/dbraw/zinc/07/85/27/549078527.db2.gz WAMMAEPVGDMJGB-SFHVURJKSA-N 1 2 353.470 2.154 10 0 FEAELO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000246306451 549101176 /nfs/dbraw/zinc/10/11/76/549101176.db2.gz CERKGJUHQICYGZ-HSALFYBXSA-N 1 2 360.498 2.065 10 0 FEAELO C[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)[NH+]1CCOCC1 ZINC000246507683 549148560 /nfs/dbraw/zinc/14/85/60/549148560.db2.gz NPMZMNITSDZYOF-OWCLPIDISA-N 1 2 367.515 2.066 10 0 FEAELO C[C@@H]1CN(C[C@@H](O)c2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000246526983 549153299 /nfs/dbraw/zinc/15/32/99/549153299.db2.gz RSKLUGOXUVNYPI-KBRIMQKVSA-N 1 2 369.303 2.135 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000246596358 549170562 /nfs/dbraw/zinc/17/05/62/549170562.db2.gz XCYXSQDJGQNEBX-BLLLJJGKSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1N1CCOCC1 ZINC000246596358 549170567 /nfs/dbraw/zinc/17/05/67/549170567.db2.gz XCYXSQDJGQNEBX-BLLLJJGKSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1N1CCOCC1 ZINC000246596358 549170571 /nfs/dbraw/zinc/17/05/71/549170571.db2.gz XCYXSQDJGQNEBX-BLLLJJGKSA-N 1 2 355.841 2.070 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCc2ccncc2)c2cccs2)CCO1 ZINC000246660561 549184522 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C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262978354 549867616 /nfs/dbraw/zinc/86/76/16/549867616.db2.gz MLIJJZWBRJQUNJ-IHRRRGAJSA-N 1 2 361.795 2.338 10 0 FEAELO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262978354 549867618 /nfs/dbraw/zinc/86/76/18/549867618.db2.gz MLIJJZWBRJQUNJ-IHRRRGAJSA-N 1 2 361.795 2.338 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000263454805 549902470 /nfs/dbraw/zinc/90/24/70/549902470.db2.gz AMWDJEANZILRTE-UHFFFAOYSA-N 1 2 365.503 2.250 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000263454805 549902473 /nfs/dbraw/zinc/90/24/73/549902473.db2.gz AMWDJEANZILRTE-UHFFFAOYSA-N 1 2 365.503 2.250 10 0 FEAELO O=c1[nH]c(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc2ccccc21 ZINC000301620832 553666783 /nfs/dbraw/zinc/66/67/83/553666783.db2.gz FCGXBTUBOZFUEU-OALUTQOASA-N 1 2 362.433 2.425 10 0 FEAELO O=c1[nH]c(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc2ccccc21 ZINC000301620832 553666784 /nfs/dbraw/zinc/66/67/84/553666784.db2.gz FCGXBTUBOZFUEU-OALUTQOASA-N 1 2 362.433 2.425 10 0 FEAELO Cc1cnc2c(cccc2S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000328628360 553798959 /nfs/dbraw/zinc/79/89/59/553798959.db2.gz NRAUWDUPYVMYGC-CQSZACIVSA-N 1 2 356.451 2.281 10 0 FEAELO CSCC[C@H](O)C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000328642065 553801060 /nfs/dbraw/zinc/80/10/60/553801060.db2.gz QUNRWZJZLGKFKC-ZBFHGGJFSA-N 1 2 366.531 2.055 10 0 FEAELO Cc1cc(C)n(-c2ccc(-c3noc([C@H]4C[N@@H+](C)C[C@@H](C)O4)n3)cn2)n1 ZINC000527543918 562292344 /nfs/dbraw/zinc/29/23/44/562292344.db2.gz STNDAFGNIZNORO-UKRRQHHQSA-N 1 2 354.414 2.326 10 0 FEAELO Cc1cc(C)n(-c2ccc(-c3noc([C@H]4C[N@H+](C)C[C@@H](C)O4)n3)cn2)n1 ZINC000527543918 562292345 /nfs/dbraw/zinc/29/23/45/562292345.db2.gz STNDAFGNIZNORO-UKRRQHHQSA-N 1 2 354.414 2.326 10 0 FEAELO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)no1 ZINC000053944340 670330722 /nfs/dbraw/zinc/33/07/22/670330722.db2.gz FZGKRJSHURULSI-HNNXBMFYSA-N 1 2 367.833 2.084 10 0 FEAELO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)no1 ZINC000053944340 670330729 /nfs/dbraw/zinc/33/07/29/670330729.db2.gz FZGKRJSHURULSI-HNNXBMFYSA-N 1 2 367.833 2.084 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2csc(-c3ccccn3)n2)C[C@@H]1C ZINC000117278303 670913418 /nfs/dbraw/zinc/91/34/18/670913418.db2.gz ZMEAGCIOZDAKCS-AWEZNQCLSA-N 1 2 360.483 2.388 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2csc(-c3ccccn3)n2)C[C@@H]1C ZINC000117278303 670913420 /nfs/dbraw/zinc/91/34/20/670913420.db2.gz ZMEAGCIOZDAKCS-AWEZNQCLSA-N 1 2 360.483 2.388 10 0 FEAELO CC(C)n1nnnc1C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133854798 672116186 /nfs/dbraw/zinc/11/61/86/672116186.db2.gz AJSCGJNELBTUQA-ZIAGYGMSSA-N 1 2 352.483 2.379 10 0 FEAELO CC(C)n1nnnc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133854798 672116189 /nfs/dbraw/zinc/11/61/89/672116189.db2.gz AJSCGJNELBTUQA-ZIAGYGMSSA-N 1 2 352.483 2.379 10 0 FEAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000135246068 672131438 /nfs/dbraw/zinc/13/14/38/672131438.db2.gz ZSRLLSNFJRWSIJ-KRWDZBQOSA-N 1 2 350.459 2.117 10 0 FEAELO CC(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC([C@H](C)O)CC1)C2=O ZINC000173358592 672350202 /nfs/dbraw/zinc/35/02/02/672350202.db2.gz QZRXIXQCYMFFHD-XVTSOASTSA-N 1 2 351.491 2.174 10 0 FEAELO COC(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000888893624 688694758 /nfs/dbraw/zinc/69/47/58/688694758.db2.gz KTHOTJJGQLFKTO-JQWIXIFHSA-N 1 2 364.427 2.310 10 0 FEAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046619705 540264260 /nfs/dbraw/zinc/26/42/60/540264260.db2.gz YDDXXZWGUFQYCK-HNNXBMFYSA-N 1 2 367.453 2.377 10 0 FEAELO C[C@H](CNC(=O)N[C@H](C)c1ccc(OC(F)F)cc1)[NH+]1CCOCC1 ZINC000049130080 540381858 /nfs/dbraw/zinc/38/18/58/540381858.db2.gz HMKYYNRLDRTHRM-CHWSQXEVSA-N 1 2 357.401 2.369 10 0 FEAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000052229068 540459885 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CCc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000106137295 543207000 /nfs/dbraw/zinc/20/70/00/543207000.db2.gz IFQWZRDOIYQSFW-MLGOLLRUSA-N 1 2 366.412 2.322 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(C(=O)OC)c3)CC2)n1 ZINC000106139466 543207096 /nfs/dbraw/zinc/20/70/96/543207096.db2.gz WALCIFGLIFJGJY-CQSZACIVSA-N 1 2 358.442 2.297 10 0 FEAELO CCOc1cc(C)nc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)n1 ZINC000106154003 543209147 /nfs/dbraw/zinc/20/91/47/543209147.db2.gz YOGZYHONZUDETR-INIZCTEOSA-N 1 2 369.469 2.333 10 0 FEAELO Cc1nnc(CN(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C1CC1 ZINC000106160372 543210331 /nfs/dbraw/zinc/21/03/31/543210331.db2.gz QMOCUNKPVQIEKQ-MRXNPFEDSA-N 1 2 361.515 2.488 10 0 FEAELO Cc1nnc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1C1CC1 ZINC000106160372 543210335 /nfs/dbraw/zinc/21/03/35/543210335.db2.gz QMOCUNKPVQIEKQ-MRXNPFEDSA-N 1 2 361.515 2.488 10 0 FEAELO Cc1nnc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1C1CC1 ZINC000106160372 543210338 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CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc3ccccc3n2)CC1 ZINC000124376826 543816953 /nfs/dbraw/zinc/81/69/53/543816953.db2.gz WNGAPWXECLGPFH-UHFFFAOYSA-N 1 2 369.465 2.468 10 0 FEAELO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc3ccccc3n2)CC1 ZINC000124376826 543816955 /nfs/dbraw/zinc/81/69/55/543816955.db2.gz WNGAPWXECLGPFH-UHFFFAOYSA-N 1 2 369.465 2.468 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1)[NH+]1CCOCC1 ZINC000125116700 543861388 /nfs/dbraw/zinc/86/13/88/543861388.db2.gz ULXHOGCJFLQTJM-KXBFYZLASA-N 1 2 372.444 2.330 10 0 FEAELO O=C(Cc1cccc(OC(F)(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000125881411 543906715 /nfs/dbraw/zinc/90/67/15/543906715.db2.gz ZMVYMOFRNBDABB-AWEZNQCLSA-N 1 2 358.360 2.061 10 0 FEAELO COc1cc(OC)cc([C@H](NC(=O)[C@@H]2CC[C@H](C)O2)c2[nH+]ccn2C)c1 ZINC000125904612 543908011 /nfs/dbraw/zinc/90/80/11/543908011.db2.gz GSDQYPLOVHQPSN-ZLIFDBKOSA-N 1 2 359.426 2.210 10 0 FEAELO CC(C)Oc1cncc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000127139794 543975084 /nfs/dbraw/zinc/97/50/84/543975084.db2.gz ZCDXZIYUTLWNAN-QZTJIDSGSA-N 1 2 354.454 2.353 10 0 FEAELO CCOc1ccc(C2=CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000126997935 543967567 /nfs/dbraw/zinc/96/75/67/543967567.db2.gz MHMOPPFUWNFOGR-LJQANCHMSA-N 1 2 359.470 2.215 10 0 FEAELO CCOc1ccc(C2=CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000126997935 543967568 /nfs/dbraw/zinc/96/75/68/543967568.db2.gz MHMOPPFUWNFOGR-LJQANCHMSA-N 1 2 359.470 2.215 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C[C@H]1C ZINC000127995948 544026906 /nfs/dbraw/zinc/02/69/06/544026906.db2.gz UYFHKWHNJJLCCZ-KGLIPLIRSA-N 1 2 353.488 2.177 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cnc([C@@H]3CCCO3)s2)C[C@H]1C ZINC000127995948 544026910 /nfs/dbraw/zinc/02/69/10/544026910.db2.gz UYFHKWHNJJLCCZ-KGLIPLIRSA-N 1 2 353.488 2.177 10 0 FEAELO Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000127436961 543992710 /nfs/dbraw/zinc/99/27/10/543992710.db2.gz KHFMTKSJVVXUIT-CYBMUJFWSA-N 1 2 353.260 2.304 10 0 FEAELO COCCCOc1cccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c1 ZINC000127472698 543995331 /nfs/dbraw/zinc/99/53/31/543995331.db2.gz NQONRVAPJZMHER-KRWDZBQOSA-N 1 2 372.469 2.465 10 0 FEAELO COCCCOc1cccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)c1 ZINC000127472698 543995334 /nfs/dbraw/zinc/99/53/34/543995334.db2.gz NQONRVAPJZMHER-KRWDZBQOSA-N 1 2 372.469 2.465 10 0 FEAELO C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000130691795 544161131 /nfs/dbraw/zinc/16/11/31/544161131.db2.gz ACGVONOWAOKCEV-HUUCEWRRSA-N 1 2 356.426 2.161 10 0 FEAELO Cc1cc(C(=O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(C)n1-c1nccs1 ZINC000131997251 544214450 /nfs/dbraw/zinc/21/44/50/544214450.db2.gz HVZLYLAHVSTBBW-INIZCTEOSA-N 1 2 374.510 2.140 10 0 FEAELO Cc1cc(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)c(C)n1-c1nccs1 ZINC000131997251 544214452 /nfs/dbraw/zinc/21/44/52/544214452.db2.gz HVZLYLAHVSTBBW-INIZCTEOSA-N 1 2 374.510 2.140 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)cn1 ZINC000133274632 544262680 /nfs/dbraw/zinc/26/26/80/544262680.db2.gz WXIOCNIPQVWIMZ-UHFFFAOYSA-N 1 2 366.824 2.266 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)cn1 ZINC000133274632 544262681 /nfs/dbraw/zinc/26/26/81/544262681.db2.gz WXIOCNIPQVWIMZ-UHFFFAOYSA-N 1 2 366.824 2.266 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H](C)C3CCOCC3)CC2)cs1 ZINC000134903614 544326307 /nfs/dbraw/zinc/32/63/07/544326307.db2.gz ODYKTMKJPMUGCN-CQSZACIVSA-N 1 2 366.531 2.484 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H](C)C3CCOCC3)CC2)cs1 ZINC000134903614 544326309 /nfs/dbraw/zinc/32/63/09/544326309.db2.gz ODYKTMKJPMUGCN-CQSZACIVSA-N 1 2 366.531 2.484 10 0 FEAELO C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000135339176 544342534 /nfs/dbraw/zinc/34/25/34/544342534.db2.gz OMQGFKHURCUXKF-MPGHIAIKSA-N 1 2 358.442 2.115 10 0 FEAELO CCCOc1cccc(CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000136820376 544379506 /nfs/dbraw/zinc/37/95/06/544379506.db2.gz SSCSXNXKCRAPSW-SFHVURJKSA-N 1 2 361.486 2.134 10 0 FEAELO CC(C)(C)Oc1cccc(CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000150939630 544488438 /nfs/dbraw/zinc/48/84/38/544488438.db2.gz GDKRTRKBNODIRH-KRWDZBQOSA-N 1 2 361.486 2.125 10 0 FEAELO CCCCCNC(=O)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000155138396 544994922 /nfs/dbraw/zinc/99/49/22/544994922.db2.gz BKGATPCBWGXRBB-UHFFFAOYSA-N 1 2 369.513 2.296 10 0 FEAELO CCCCCNC(=O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000155138396 544994925 /nfs/dbraw/zinc/99/49/25/544994925.db2.gz BKGATPCBWGXRBB-UHFFFAOYSA-N 1 2 369.513 2.296 10 0 FEAELO COC(=O)C1CCC(C(=O)N(CC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000180181240 327675140 /nfs/dbraw/zinc/67/51/40/327675140.db2.gz DLQZWXJQWCEQQH-UHFFFAOYSA-N 1 2 374.481 2.331 10 0 FEAELO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCNC(=O)C3)cc2)C12CCOCC2 ZINC000186450841 327962417 /nfs/dbraw/zinc/96/24/17/327962417.db2.gz XGOSNVNZEBVOIQ-QZTJIDSGSA-N 1 2 359.470 2.009 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)CC[N@@H+]1CCOC ZINC000187974121 328057485 /nfs/dbraw/zinc/05/74/85/328057485.db2.gz RJTVYRLYWUOBSR-LBPRGKRZSA-N 1 2 366.936 2.441 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2cc(C)c(Cl)s2)CC[N@H+]1CCOC ZINC000187974121 328057487 /nfs/dbraw/zinc/05/74/87/328057487.db2.gz RJTVYRLYWUOBSR-LBPRGKRZSA-N 1 2 366.936 2.441 10 0 FEAELO COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(OCC2CC2)c1 ZINC000188518424 328092265 /nfs/dbraw/zinc/09/22/65/328092265.db2.gz XQPBFGNHHURNRE-DNVCBOLYSA-N 1 2 374.481 2.277 10 0 FEAELO O=C(CC[N@@H+]1CCO[C@H](c2nccs2)C1)N1CCc2ccccc2C1 ZINC000189021411 328124069 /nfs/dbraw/zinc/12/40/69/328124069.db2.gz CAVITONDHBEZPF-KRWDZBQOSA-N 1 2 357.479 2.491 10 0 FEAELO O=C(CC[N@H+]1CCO[C@H](c2nccs2)C1)N1CCc2ccccc2C1 ZINC000189021411 328124070 /nfs/dbraw/zinc/12/40/70/328124070.db2.gz CAVITONDHBEZPF-KRWDZBQOSA-N 1 2 357.479 2.491 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000189158404 328132298 /nfs/dbraw/zinc/13/22/98/328132298.db2.gz FIMWZMUIPRABHC-CQSZACIVSA-N 1 2 360.351 2.323 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000189158404 328132301 /nfs/dbraw/zinc/13/23/01/328132301.db2.gz FIMWZMUIPRABHC-CQSZACIVSA-N 1 2 360.351 2.323 10 0 FEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000190431641 328207248 /nfs/dbraw/zinc/20/72/48/328207248.db2.gz WXHJXLRUMRIKSA-HNNXBMFYSA-N 1 2 373.505 2.036 10 0 FEAELO CCn1cc([C@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190727662 328228266 /nfs/dbraw/zinc/22/82/66/328228266.db2.gz JJPPXVHMAZISMF-QGZVFWFLSA-N 1 2 371.441 2.015 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190727662 328228267 /nfs/dbraw/zinc/22/82/67/328228267.db2.gz JJPPXVHMAZISMF-QGZVFWFLSA-N 1 2 371.441 2.015 10 0 FEAELO O=C(Nc1cc(F)cc(Cl)c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190768068 328231436 /nfs/dbraw/zinc/23/14/36/328231436.db2.gz LNUZOMCECMWKJB-CQSZACIVSA-N 1 2 350.781 2.305 10 0 FEAELO COc1ccc(C(=O)CCCCCC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000191029805 328246434 /nfs/dbraw/zinc/24/64/34/328246434.db2.gz PEXPYCIVVXWRMX-GOSISDBHSA-N 1 2 362.470 2.275 10 0 FEAELO COc1ccc(C(=O)CCCCCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000191029805 328246435 /nfs/dbraw/zinc/24/64/35/328246435.db2.gz PEXPYCIVVXWRMX-GOSISDBHSA-N 1 2 362.470 2.275 10 0 FEAELO COc1ccnc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1OC ZINC000191041133 328247168 /nfs/dbraw/zinc/24/71/68/328247168.db2.gz XSHWQFNUBYDNAX-GFCCVEGCSA-N 1 2 350.440 2.353 10 0 FEAELO CC(=O)NC1C[NH+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000191730166 328279036 /nfs/dbraw/zinc/27/90/36/328279036.db2.gz FHXMIAOIBAJJOB-YADHBBJMSA-N 1 2 368.477 2.282 10 0 FEAELO CCCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000191916982 328288742 /nfs/dbraw/zinc/28/87/42/328288742.db2.gz LTQBRDAPAHRTFV-QAPCUYQASA-N 1 2 362.470 2.277 10 0 FEAELO CO[C@@](C)(C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1F ZINC000192068599 328298066 /nfs/dbraw/zinc/29/80/66/328298066.db2.gz PIPRUPXAYUMUOZ-HXUWFJFHSA-N 1 2 374.460 2.155 10 0 FEAELO CO[C@@](C)(C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1F ZINC000192068599 328298067 /nfs/dbraw/zinc/29/80/67/328298067.db2.gz PIPRUPXAYUMUOZ-HXUWFJFHSA-N 1 2 374.460 2.155 10 0 FEAELO CC(C)n1cc(Br)cc1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079505836 325094195 /nfs/dbraw/zinc/09/41/95/325094195.db2.gz FUSMJWKVRWUEAE-LBPRGKRZSA-N 1 2 358.280 2.282 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000083066909 325212545 /nfs/dbraw/zinc/21/25/45/325212545.db2.gz SJCDOLYJJBAOOJ-LBPRGKRZSA-N 1 2 369.874 2.349 10 0 FEAELO CC(C)COC[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000101786595 325480632 /nfs/dbraw/zinc/48/06/32/325480632.db2.gz WSCOZHXPSFKAOX-CVEARBPZSA-N 1 2 353.463 2.013 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000106132251 325584948 /nfs/dbraw/zinc/58/49/48/325584948.db2.gz AWBCLQNZDMOHTE-BDJLRTHQSA-N 1 2 352.385 2.068 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000106132261 325585187 /nfs/dbraw/zinc/58/51/87/325585187.db2.gz VHKUENQMFMVWQU-BDJLRTHQSA-N 1 2 352.385 2.068 10 0 FEAELO C[C@@H](CNC(=O)N1CCc2ccc(Br)cc21)[NH+]1CCOCC1 ZINC000112438755 325781853 /nfs/dbraw/zinc/78/18/53/325781853.db2.gz CIIVDOYOHLWIHS-LBPRGKRZSA-N 1 2 368.275 2.242 10 0 FEAELO Cn1cc([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000116317141 326005742 /nfs/dbraw/zinc/00/57/42/326005742.db2.gz LKOIOCLBSOGKEP-DOMZBBRYSA-N 1 2 363.259 2.199 10 0 FEAELO Cn1cc([C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)cn1 ZINC000116317141 326005744 /nfs/dbraw/zinc/00/57/44/326005744.db2.gz LKOIOCLBSOGKEP-DOMZBBRYSA-N 1 2 363.259 2.199 10 0 FEAELO CCOCCCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116420134 326013313 /nfs/dbraw/zinc/01/33/13/326013313.db2.gz QCGGEXVMPXRXKY-UHFFFAOYSA-N 1 2 354.520 2.486 10 0 FEAELO CCOCCCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116420134 326013316 /nfs/dbraw/zinc/01/33/16/326013316.db2.gz QCGGEXVMPXRXKY-UHFFFAOYSA-N 1 2 354.520 2.486 10 0 FEAELO CC(C)N1CCO[C@@H](C[NH+]2CCN(Cc3cc(F)c(F)c(F)c3)CC2)C1 ZINC000121050764 326309333 /nfs/dbraw/zinc/30/93/33/326309333.db2.gz TXDNPFBKQCSEKU-INIZCTEOSA-N 1 2 371.447 2.331 10 0 FEAELO O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121342933 326331253 /nfs/dbraw/zinc/33/12/53/326331253.db2.gz RWZJDYKRQILKPO-GOEBONIOSA-N 1 2 355.369 2.326 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)n1 ZINC000121505954 326343886 /nfs/dbraw/zinc/34/38/86/326343886.db2.gz XYPOTIOCBRPCJM-UHFFFAOYSA-N 1 2 368.485 2.193 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)C[C@@H]1[NH+]1CCOCC1 ZINC000121680996 326357552 /nfs/dbraw/zinc/35/75/52/326357552.db2.gz MMXBXKBFQJLNNP-DYVFJYSZSA-N 1 2 359.401 2.273 10 0 FEAELO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1nnc2n1CCCC2 ZINC000124647770 326457538 /nfs/dbraw/zinc/45/75/38/326457538.db2.gz QVZLVFNATOZCMP-FZMZJTMJSA-N 1 2 361.396 2.349 10 0 FEAELO CCOC(=O)c1cc(NCc2[nH+]ccn2CC)cc(S(C)(=O)=O)c1 ZINC000124758628 326459596 /nfs/dbraw/zinc/45/95/96/326459596.db2.gz OJJHNPXISNOVEX-UHFFFAOYSA-N 1 2 351.428 2.095 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)C[C@H]3CSCCS3)CC2)s1 ZINC000130449570 326556948 /nfs/dbraw/zinc/55/69/48/326556948.db2.gz NTSCETLWCLWOBG-ZDUSSCGKSA-N 1 2 357.570 2.334 10 0 FEAELO Brc1cccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000155065972 326776658 /nfs/dbraw/zinc/77/66/58/326776658.db2.gz FWGNHNIBUNUNLX-UHFFFAOYSA-N 1 2 373.258 2.209 10 0 FEAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000155413179 326787354 /nfs/dbraw/zinc/78/73/54/326787354.db2.gz TZRCAYOKIPJTSS-UHFFFAOYSA-N 1 2 355.442 2.319 10 0 FEAELO Cc1ccsc1CNC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000156266951 326824212 /nfs/dbraw/zinc/82/42/12/326824212.db2.gz KGZPFVWIXDOLMF-UHFFFAOYSA-N 1 2 355.485 2.065 10 0 FEAELO Cc1cc(C)c2ncc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c(O)c2c1 ZINC000164234095 327066985 /nfs/dbraw/zinc/06/69/85/327066985.db2.gz ZUMDRHDTDUQOIV-YJBOKZPZSA-N 1 2 369.465 2.350 10 0 FEAELO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1cccc(Br)c1 ZINC000170645608 327090208 /nfs/dbraw/zinc/09/02/08/327090208.db2.gz RVDQBTWKOMOWBF-CYBMUJFWSA-N 1 2 374.275 2.462 10 0 FEAELO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)COc1cccc(Br)c1 ZINC000170645608 327090210 /nfs/dbraw/zinc/09/02/10/327090210.db2.gz RVDQBTWKOMOWBF-CYBMUJFWSA-N 1 2 374.275 2.462 10 0 FEAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170922933 327107469 /nfs/dbraw/zinc/10/74/69/327107469.db2.gz ZLVNSELFKSQQGP-SWLSCSKDSA-N 1 2 370.291 2.010 10 0 FEAELO C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170922933 327107470 /nfs/dbraw/zinc/10/74/70/327107470.db2.gz ZLVNSELFKSQQGP-SWLSCSKDSA-N 1 2 370.291 2.010 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@H](C(=O)N(C)C)c3ccccc3)CC2)s1 ZINC000170941677 327108401 /nfs/dbraw/zinc/10/84/01/327108401.db2.gz BNIQKIHPCRMTFE-SFHVURJKSA-N 1 2 358.511 2.399 10 0 FEAELO CCOc1cc(C)nc(N2CCN(Cc3cn4c(cccc4C)[nH+]3)CC2)n1 ZINC000170943522 327109122 /nfs/dbraw/zinc/10/91/22/327109122.db2.gz DHMHSSHTEVSSMO-UHFFFAOYSA-N 1 2 366.469 2.462 10 0 FEAELO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000171813013 327163177 /nfs/dbraw/zinc/16/31/77/327163177.db2.gz JNLMXMYIJGWZPD-UHFFFAOYSA-N 1 2 364.453 2.262 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNc2ncnc3c2cnn3C)c2cccs2)CCO1 ZINC000171986942 327174590 /nfs/dbraw/zinc/17/45/90/327174590.db2.gz WTUGFIAHXKFZJD-JSGCOSHPSA-N 1 2 358.471 2.299 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNc2ncnc3c2cnn3C)c2cccs2)CCO1 ZINC000171986942 327174591 /nfs/dbraw/zinc/17/45/91/327174591.db2.gz WTUGFIAHXKFZJD-JSGCOSHPSA-N 1 2 358.471 2.299 10 0 FEAELO Cc1ccc([C@@H](CNc2ncnc3c2cnn3C)[NH+]2CCOCC2)s1 ZINC000171986921 327174601 /nfs/dbraw/zinc/17/46/01/327174601.db2.gz REDZHEJYPWOGKH-CQSZACIVSA-N 1 2 358.471 2.219 10 0 FEAELO Cc1ncc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C(C)C)n1 ZINC000172139782 327183263 /nfs/dbraw/zinc/18/32/63/327183263.db2.gz AUPKQGXESPKZBO-LJQANCHMSA-N 1 2 368.481 2.400 10 0 FEAELO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754585 327217116 /nfs/dbraw/zinc/21/71/16/327217116.db2.gz XWHWJNVHXUESBJ-GOSISDBHSA-N 1 2 354.454 2.036 10 0 FEAELO CCOc1ccccc1OCCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172754543 327217195 /nfs/dbraw/zinc/21/71/95/327217195.db2.gz KWGZJJZVYJNROX-KRWDZBQOSA-N 1 2 362.470 2.177 10 0 FEAELO O=C(CCc1ccc(OC(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172768559 327217886 /nfs/dbraw/zinc/21/78/86/327217886.db2.gz YIZYSNINCGHQHT-OAHLLOKOSA-N 1 2 372.387 2.451 10 0 FEAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccc(F)cc3)n2)cn1 ZINC000173318526 327249629 /nfs/dbraw/zinc/24/96/29/327249629.db2.gz BTDSRNDWVNGEBR-HNNXBMFYSA-N 1 2 368.420 2.407 10 0 FEAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccc(F)cc3)n2)cn1 ZINC000173318526 327249630 /nfs/dbraw/zinc/24/96/30/327249630.db2.gz BTDSRNDWVNGEBR-HNNXBMFYSA-N 1 2 368.420 2.407 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Oc2cccc(F)c2)nc[nH+]1 ZINC000173415455 327254551 /nfs/dbraw/zinc/25/45/51/327254551.db2.gz BVDLZDFEIQFKLZ-ZFWWWQNUSA-N 1 2 373.432 2.210 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Oc2cccc(F)c2)[nH+]cn1 ZINC000173415455 327254553 /nfs/dbraw/zinc/25/45/53/327254553.db2.gz BVDLZDFEIQFKLZ-ZFWWWQNUSA-N 1 2 373.432 2.210 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)CCSC)nc[nH+]1 ZINC000173428109 327255828 /nfs/dbraw/zinc/25/58/28/327255828.db2.gz AYBLOSXEOUQKRO-KGLIPLIRSA-N 1 2 366.535 2.270 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)CCSC)[nH+]cn1 ZINC000173428109 327255829 /nfs/dbraw/zinc/25/58/29/327255829.db2.gz AYBLOSXEOUQKRO-KGLIPLIRSA-N 1 2 366.535 2.270 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3nc(C)ccc3o2)nc[nH+]1 ZINC000173447878 327257793 /nfs/dbraw/zinc/25/77/93/327257793.db2.gz DKGQFQFPCWOBHC-CYBMUJFWSA-N 1 2 366.425 2.367 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3nc(C)ccc3o2)[nH+]cn1 ZINC000173447878 327257795 /nfs/dbraw/zinc/25/77/95/327257795.db2.gz DKGQFQFPCWOBHC-CYBMUJFWSA-N 1 2 366.425 2.367 10 0 FEAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(OC(F)F)c1 ZINC000173777429 327283629 /nfs/dbraw/zinc/28/36/29/327283629.db2.gz OVWHLZDCGNEQIO-ZFWWWQNUSA-N 1 2 369.412 2.465 10 0 FEAELO O=C(NCc1cc(Br)cs1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173787942 327283986 /nfs/dbraw/zinc/28/39/86/327283986.db2.gz MXFPRRPLHJTOIX-GFCCVEGCSA-N 1 2 374.304 2.127 10 0 FEAELO Cc1c(Cl)cccc1OCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173811403 327285743 /nfs/dbraw/zinc/28/57/43/327285743.db2.gz MMCFDTJNJWGUQQ-CJNGLKHVSA-N 1 2 352.862 2.206 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccnc2SC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000173824090 327286474 /nfs/dbraw/zinc/28/64/74/327286474.db2.gz IKJCMMVFDFLJJY-DGCLKSJQSA-N 1 2 357.426 2.189 10 0 FEAELO CC(C)CNC(=O)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173825679 327286803 /nfs/dbraw/zinc/28/68/03/327286803.db2.gz FXKFMHSUMATZGP-GOSISDBHSA-N 1 2 374.485 2.011 10 0 FEAELO CC(C)(C)c1csc(CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000173827278 327287006 /nfs/dbraw/zinc/28/70/06/327287006.db2.gz LQOYFSITTJTHSS-CQSZACIVSA-N 1 2 366.531 2.099 10 0 FEAELO C[C@@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173876761 327290728 /nfs/dbraw/zinc/29/07/28/327290728.db2.gz YTTXDDSCFZVMKQ-RDTXWAMCSA-N 1 2 374.872 2.318 10 0 FEAELO c1sc(-c2ccc3c(c2)OCO3)nc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173936028 327295698 /nfs/dbraw/zinc/29/56/98/327295698.db2.gz SREPLOGUODKJDU-MRXNPFEDSA-N 1 2 373.478 2.445 10 0 FEAELO Cc1ccc(C2(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)CCOCC2)cc1 ZINC000173962610 327298185 /nfs/dbraw/zinc/29/81/85/327298185.db2.gz JCQBVWVYHTTXKP-ICSRJNTNSA-N 1 2 372.509 2.222 10 0 FEAELO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173995939 327300473 /nfs/dbraw/zinc/30/04/73/327300473.db2.gz CMATWVPWSUATFJ-CQSZACIVSA-N 1 2 367.877 2.002 10 0 FEAELO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173995939 327300474 /nfs/dbraw/zinc/30/04/74/327300474.db2.gz CMATWVPWSUATFJ-CQSZACIVSA-N 1 2 367.877 2.002 10 0 FEAELO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173995939 327300475 /nfs/dbraw/zinc/30/04/75/327300475.db2.gz CMATWVPWSUATFJ-CQSZACIVSA-N 1 2 367.877 2.002 10 0 FEAELO CC[C@H](O)CN1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000174088757 327305615 /nfs/dbraw/zinc/30/56/15/327305615.db2.gz GREWYAOXSWPCAD-INIZCTEOSA-N 1 2 364.877 2.321 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(COC)c2)nc[nH+]1 ZINC000174866379 327356178 /nfs/dbraw/zinc/35/61/78/327356178.db2.gz RLFYDYNCYYKCSI-INIZCTEOSA-N 1 2 370.457 2.455 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(COC)c2)[nH+]cn1 ZINC000174866379 327356179 /nfs/dbraw/zinc/35/61/79/327356179.db2.gz RLFYDYNCYYKCSI-INIZCTEOSA-N 1 2 370.457 2.455 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NC[C@](C)(O)C(C)C)[NH+]2CCOCC2)s1 ZINC000174985243 327365484 /nfs/dbraw/zinc/36/54/84/327365484.db2.gz YOINAXSGMZBMEE-YJBOKZPZSA-N 1 2 369.531 2.136 10 0 FEAELO C[C@H](CNC(=O)NC[C@H](C)Oc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000175004846 327367311 /nfs/dbraw/zinc/36/73/11/327367311.db2.gz ZHAFTONHXAOAIG-KGLIPLIRSA-N 1 2 355.866 2.127 10 0 FEAELO C[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000175258430 327382764 /nfs/dbraw/zinc/38/27/64/327382764.db2.gz HOTPKRGTVICSML-GXFFZTMASA-N 1 2 359.253 2.492 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCC(=O)OC(C)(C)C)CC2)s1 ZINC000175288729 327384989 /nfs/dbraw/zinc/38/49/89/327384989.db2.gz JVMHDXZASXEGHL-UHFFFAOYSA-N 1 2 368.503 2.011 10 0 FEAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2COc3ccccc3C2)C1 ZINC000177956957 327555158 /nfs/dbraw/zinc/55/51/58/327555158.db2.gz VBXWSXIYZAWROD-RDJZCZTQSA-N 1 2 354.454 2.388 10 0 FEAELO C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000178208121 327572173 /nfs/dbraw/zinc/57/21/73/327572173.db2.gz MWMMTOPZJVTHHW-OAHLLOKOSA-N 1 2 372.494 2.449 10 0 FEAELO C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)[C@H]1CCCO1 ZINC000248881019 328746767 /nfs/dbraw/zinc/74/67/67/328746767.db2.gz QSEQULUFNYYDHZ-KCYZZUKISA-N 1 2 362.474 2.062 10 0 FEAELO COc1cccc(Oc2ccc(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)cn2)c1 ZINC000262919789 328900256 /nfs/dbraw/zinc/90/02/56/328900256.db2.gz GSKLRIMVXUPTGZ-OAHLLOKOSA-N 1 2 363.364 2.496 10 0 FEAELO O=C(c1cccc(Cl)c1)N1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263036931 328910347 /nfs/dbraw/zinc/91/03/47/328910347.db2.gz SKOHLGXGMNJDMA-AWEZNQCLSA-N 1 2 371.815 2.012 10 0 FEAELO CCCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000073685555 521368486 /nfs/dbraw/zinc/36/84/86/521368486.db2.gz RSPWXVNWCVMDGE-UHFFFAOYSA-N 1 2 370.453 2.311 10 0 FEAELO O=C(c1cccc(F)c1Br)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000156584964 545637415 /nfs/dbraw/zinc/63/74/15/545637415.db2.gz AJWHKTYKXZVFBX-NSHDSACASA-N 1 2 357.223 2.135 10 0 FEAELO COc1cc(-c2noc(CN3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2)ccc1C ZINC000156652797 545643330 /nfs/dbraw/zinc/64/33/30/545643330.db2.gz VAVWIZYBSRZMEW-NVXWUHKLSA-N 1 2 372.469 2.206 10 0 FEAELO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1=NS(=O)(=O)c2ccccc21 ZINC000157772145 545780871 /nfs/dbraw/zinc/78/08/71/545780871.db2.gz JADNZLRMLAXJKE-PBHICJAKSA-N 1 2 355.463 2.246 10 0 FEAELO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1=NS(=O)(=O)c2ccccc21 ZINC000157772145 545780876 /nfs/dbraw/zinc/78/08/76/545780876.db2.gz JADNZLRMLAXJKE-PBHICJAKSA-N 1 2 355.463 2.246 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3coc(-c4ccccc4)n3)CC2)cn1 ZINC000159173367 545928255 /nfs/dbraw/zinc/92/82/55/545928255.db2.gz IDTHPIGPLDNQPW-UHFFFAOYSA-N 1 2 365.437 2.423 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3coc(-c4ccccc4)n3)CC2)cn1 ZINC000159173367 545928260 /nfs/dbraw/zinc/92/82/60/545928260.db2.gz IDTHPIGPLDNQPW-UHFFFAOYSA-N 1 2 365.437 2.423 10 0 FEAELO Cc1ccc(N2CCC[N@H+](CC(=O)Nc3cc(F)cc(F)c3)CC2)nn1 ZINC000170939503 546184071 /nfs/dbraw/zinc/18/40/71/546184071.db2.gz RQVHBRUWOZVFNZ-UHFFFAOYSA-N 1 2 361.396 2.214 10 0 FEAELO Cc1ccc(N2CCC[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)CC2)nn1 ZINC000170939503 546184076 /nfs/dbraw/zinc/18/40/76/546184076.db2.gz RQVHBRUWOZVFNZ-UHFFFAOYSA-N 1 2 361.396 2.214 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3ccccc3[nH]2)nc[nH+]1 ZINC000173414578 546281535 /nfs/dbraw/zinc/28/15/35/546281535.db2.gz FJPPVHJYEKKMMJ-CQSZACIVSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3ccccc3[nH]2)[nH+]cn1 ZINC000173414578 546281542 /nfs/dbraw/zinc/28/15/42/546281542.db2.gz FJPPVHJYEKKMMJ-CQSZACIVSA-N 1 2 350.426 2.398 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)CC[C@@H]2CCOC2)c2cccs2)CCO1 ZINC000176225315 546421214 /nfs/dbraw/zinc/42/12/14/546421214.db2.gz IVFOFDXCNSOABQ-OAGGEKHMSA-N 1 2 352.500 2.443 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)CC[C@@H]2CCOC2)c2cccs2)CCO1 ZINC000176225315 546421217 /nfs/dbraw/zinc/42/12/17/546421217.db2.gz IVFOFDXCNSOABQ-OAGGEKHMSA-N 1 2 352.500 2.443 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1[NH+]1CCOCC1 ZINC000177255333 546581195 /nfs/dbraw/zinc/58/11/95/546581195.db2.gz ZEPIGSMPIWNDDA-WBMJQRKESA-N 1 2 355.841 2.070 10 0 FEAELO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C[C@@H]1N1CCOCC1 ZINC000177255333 546581197 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C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000111493227 543403805 /nfs/dbraw/zinc/40/38/05/543403805.db2.gz PYQYHOMXJDRGPQ-DOMZBBRYSA-N 1 2 359.392 2.266 10 0 FEAELO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000111493227 543403809 /nfs/dbraw/zinc/40/38/09/543403809.db2.gz PYQYHOMXJDRGPQ-DOMZBBRYSA-N 1 2 359.392 2.266 10 0 FEAELO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000111493224 543403855 /nfs/dbraw/zinc/40/38/55/543403855.db2.gz PYQYHOMXJDRGPQ-WFASDCNBSA-N 1 2 359.392 2.266 10 0 FEAELO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000111493224 543403857 /nfs/dbraw/zinc/40/38/57/543403857.db2.gz PYQYHOMXJDRGPQ-WFASDCNBSA-N 1 2 359.392 2.266 10 0 FEAELO CC[N@H+](CCCNC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111806770 543416579 /nfs/dbraw/zinc/41/65/79/543416579.db2.gz NZIRFEXCPHVJHH-IBGZPJMESA-N 1 2 371.485 2.210 10 0 FEAELO CC[N@@H+](CCCNC(=O)N1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000111806770 543416581 /nfs/dbraw/zinc/41/65/81/543416581.db2.gz NZIRFEXCPHVJHH-IBGZPJMESA-N 1 2 371.485 2.210 10 0 FEAELO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114201578 543507484 /nfs/dbraw/zinc/50/74/84/543507484.db2.gz XLFUGKLJBUZIEY-KRWDZBQOSA-N 1 2 355.442 2.325 10 0 FEAELO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114201578 543507487 /nfs/dbraw/zinc/50/74/87/543507487.db2.gz XLFUGKLJBUZIEY-KRWDZBQOSA-N 1 2 355.442 2.325 10 0 FEAELO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114482564 543520776 /nfs/dbraw/zinc/52/07/76/543520776.db2.gz OVVYGMLXZXXKAH-SFHVURJKSA-N 1 2 369.469 2.342 10 0 FEAELO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114482564 543520778 /nfs/dbraw/zinc/52/07/78/543520778.db2.gz OVVYGMLXZXXKAH-SFHVURJKSA-N 1 2 369.469 2.342 10 0 FEAELO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484714 543520802 /nfs/dbraw/zinc/52/08/02/543520802.db2.gz HRTUYGHGOMISKE-GOSISDBHSA-N 1 2 369.469 2.254 10 0 FEAELO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484714 543520804 /nfs/dbraw/zinc/52/08/04/543520804.db2.gz HRTUYGHGOMISKE-GOSISDBHSA-N 1 2 369.469 2.254 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000115389662 543564711 /nfs/dbraw/zinc/56/47/11/543564711.db2.gz QCBZQDXJLMXSEH-UHFFFAOYSA-N 1 2 358.461 2.453 10 0 FEAELO Cc1cccc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000117312147 543629739 /nfs/dbraw/zinc/62/97/39/543629739.db2.gz RIQWLNBGXZHVBJ-IBGZPJMESA-N 1 2 354.450 2.193 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000117370198 543630308 /nfs/dbraw/zinc/63/03/08/543630308.db2.gz HFWDVDIUWDJLKI-LLVKDONJSA-N 1 2 367.298 2.335 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000117370198 543630313 /nfs/dbraw/zinc/63/03/13/543630313.db2.gz HFWDVDIUWDJLKI-LLVKDONJSA-N 1 2 367.298 2.335 10 0 FEAELO CCN(CC(C)(C)O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000123739736 543780382 /nfs/dbraw/zinc/78/03/82/543780382.db2.gz SXZYXHPIPFAANF-CABCVRRESA-N 1 2 369.531 2.312 10 0 FEAELO CCN(CC(C)(C)O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000123739736 543780385 /nfs/dbraw/zinc/78/03/85/543780385.db2.gz SXZYXHPIPFAANF-CABCVRRESA-N 1 2 369.531 2.312 10 0 FEAELO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1nnc2n1CCCC2 ZINC000124647978 543834693 /nfs/dbraw/zinc/83/46/93/543834693.db2.gz QVZLVFNATOZCMP-RISCZKNCSA-N 1 2 361.396 2.349 10 0 FEAELO C[C@H](CNC(=O)NCCc1csc(C(C)(C)C)n1)[NH+]1CCOCC1 ZINC000125114998 543861080 /nfs/dbraw/zinc/86/10/80/543861080.db2.gz YAGQRKMJGUHKAO-CYBMUJFWSA-N 1 2 354.520 2.003 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)c1nnc(-c2ccccc2F)n1C ZINC000125215374 543867849 /nfs/dbraw/zinc/86/78/49/543867849.db2.gz APKUWNUGQLAMIA-UHFFFAOYSA-N 1 2 363.418 2.373 10 0 FEAELO CN1CC[NH+]([C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)c2ccccc2)CC1 ZINC000125415488 543880627 /nfs/dbraw/zinc/88/06/27/543880627.db2.gz LDXJUIFICBRUSX-HXUWFJFHSA-N 1 2 367.497 2.104 10 0 FEAELO O=C(NOCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000126249498 543926178 /nfs/dbraw/zinc/92/61/78/543926178.db2.gz KLFGABMOTSBVCA-OAHLLOKOSA-N 1 2 373.375 2.253 10 0 FEAELO Cc1cccc([C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c2ccccn2)c1 ZINC000127473799 543995090 /nfs/dbraw/zinc/99/50/90/543995090.db2.gz DRQWUWKKSMIKDR-MJGOQNOKSA-N 1 2 354.454 2.109 10 0 FEAELO Cc1cccc([C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2ccccn2)c1 ZINC000127473799 543995092 /nfs/dbraw/zinc/99/50/92/543995092.db2.gz DRQWUWKKSMIKDR-MJGOQNOKSA-N 1 2 354.454 2.109 10 0 FEAELO CS[C@H](C)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000129740075 544125505 /nfs/dbraw/zinc/12/55/05/544125505.db2.gz AKAGUKUSMQZOMW-KGLIPLIRSA-N 1 2 357.545 2.481 10 0 FEAELO CC[C@]1(C)CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CCO1 ZINC000135698699 544359262 /nfs/dbraw/zinc/35/92/62/544359262.db2.gz NOPPFMRONRXEDF-QGZVFWFLSA-N 1 2 352.504 2.178 10 0 FEAELO CS(=O)(=O)c1cccc(OCC[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152473690 544658423 /nfs/dbraw/zinc/65/84/23/544658423.db2.gz OPKDICUMWRWGQW-KRWDZBQOSA-N 1 2 362.451 2.017 10 0 FEAELO CS(=O)(=O)c1cccc(OCC[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152473690 544658427 /nfs/dbraw/zinc/65/84/27/544658427.db2.gz OPKDICUMWRWGQW-KRWDZBQOSA-N 1 2 362.451 2.017 10 0 FEAELO CC(C)(C)OC(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000179506967 327646964 /nfs/dbraw/zinc/64/69/64/327646964.db2.gz DIPLSRXYJLRHJM-QGZVFWFLSA-N 1 2 360.454 2.189 10 0 FEAELO C[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)[NH+]1CCOCC1 ZINC000184385536 327865135 /nfs/dbraw/zinc/86/51/35/327865135.db2.gz XTJAQSLOKRHRGC-WMLDXEAASA-N 1 2 367.877 2.144 10 0 FEAELO CC(C)OCCNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000186914076 327990040 /nfs/dbraw/zinc/99/00/40/327990040.db2.gz ILQZPIVTHHBQGL-HNNXBMFYSA-N 1 2 355.504 2.188 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)[nH]n2)cc1C ZINC000187444497 328025897 /nfs/dbraw/zinc/02/58/97/328025897.db2.gz ADEADIRRJJWXKL-KRWDZBQOSA-N 1 2 354.454 2.240 10 0 FEAELO C[C@@H](NC(=O)N1CCC[C@H](OCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189043989 328125567 /nfs/dbraw/zinc/12/55/67/328125567.db2.gz ZVPDOXUSHIVLSM-QAPCUYQASA-N 1 2 358.442 2.116 10 0 FEAELO C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)N1CCCCC1=O ZINC000189153235 328131668 /nfs/dbraw/zinc/13/16/68/328131668.db2.gz AWLBJEFMSOQCCR-INIZCTEOSA-N 1 2 358.486 2.479 10 0 FEAELO O=C(c1n[nH]c2c1CCCCC2)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000190310865 328199539 /nfs/dbraw/zinc/19/95/39/328199539.db2.gz DBZWPECEIXZTTH-LJQANCHMSA-N 1 2 368.481 2.170 10 0 FEAELO CCCCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(O)c1 ZINC000190521404 328213691 /nfs/dbraw/zinc/21/36/91/328213691.db2.gz ASVOHKLVDLVCMV-YJBOKZPZSA-N 1 2 362.470 2.364 10 0 FEAELO CCOC[C@@H](NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)C ZINC000191786580 328281956 /nfs/dbraw/zinc/28/19/56/328281956.db2.gz IYDHNQIZZAAGJS-MRXNPFEDSA-N 1 2 354.520 2.340 10 0 FEAELO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016308 328294265 /nfs/dbraw/zinc/29/42/65/328294265.db2.gz SIURQDRUFMONAP-SFHVURJKSA-N 1 2 373.497 2.053 10 0 FEAELO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016308 328294267 /nfs/dbraw/zinc/29/42/67/328294267.db2.gz SIURQDRUFMONAP-SFHVURJKSA-N 1 2 373.497 2.053 10 0 FEAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016308 328294269 /nfs/dbraw/zinc/29/42/69/328294269.db2.gz SIURQDRUFMONAP-SFHVURJKSA-N 1 2 373.497 2.053 10 0 FEAELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000192016308 328294270 /nfs/dbraw/zinc/29/42/70/328294270.db2.gz SIURQDRUFMONAP-SFHVURJKSA-N 1 2 373.497 2.053 10 0 FEAELO CCOCC[N@@H+]1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@H]1CC ZINC000192575494 328326785 /nfs/dbraw/zinc/32/67/85/328326785.db2.gz RQVDIXCOEWCKFN-QGZVFWFLSA-N 1 2 372.506 2.032 10 0 FEAELO CCOCC[N@H+]1CCN(CCS(=O)(=O)c2ccc(F)cc2)C[C@H]1CC ZINC000192575494 328326786 /nfs/dbraw/zinc/32/67/86/328326786.db2.gz RQVDIXCOEWCKFN-QGZVFWFLSA-N 1 2 372.506 2.032 10 0 FEAELO Cc1ccc(C(=O)NC2CC[NH+](Cc3nnc(C4CC4)n3C)CC2)s1 ZINC000195123374 328457178 /nfs/dbraw/zinc/45/71/78/328457178.db2.gz PBRGUBMSGIKEIJ-UHFFFAOYSA-N 1 2 359.499 2.457 10 0 FEAELO CCOc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1CC ZINC000083066917 325212635 /nfs/dbraw/zinc/21/26/35/325212635.db2.gz PBCRACIOTITEEF-CYBMUJFWSA-N 1 2 365.455 2.244 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000083066910 325212647 /nfs/dbraw/zinc/21/26/47/325212647.db2.gz SJCDOLYJJBAOOJ-GFCCVEGCSA-N 1 2 369.874 2.349 10 0 FEAELO O=C(NCc1[nH+]ccn1CCc1ccccc1)N[C@H]1CCCC[C@@H]1CO ZINC000083751449 325224954 /nfs/dbraw/zinc/22/49/54/325224954.db2.gz GTCXWAVIMFILKQ-MSOLQXFVSA-N 1 2 356.470 2.476 10 0 FEAELO O=C(NCc1[nH+]ccn1CCc1ccccc1)N[C@H]1CCCC[C@H]1CO ZINC000083751451 325225216 /nfs/dbraw/zinc/22/52/16/325225216.db2.gz GTCXWAVIMFILKQ-ROUUACIJSA-N 1 2 356.470 2.476 10 0 FEAELO C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000098113337 325467200 /nfs/dbraw/zinc/46/72/00/325467200.db2.gz QROMMQSWLYUMLH-XJKSGUPXSA-N 1 2 374.403 2.008 10 0 FEAELO COc1cccc(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000106085118 325578283 /nfs/dbraw/zinc/57/82/83/325578283.db2.gz WMYXXLLOBZSJFW-UHFFFAOYSA-N 1 2 355.442 2.025 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)n1 ZINC000106136605 325585478 /nfs/dbraw/zinc/58/54/78/325585478.db2.gz SZMSQNWJWCWOCB-OAHLLOKOSA-N 1 2 371.485 2.213 10 0 FEAELO c1nn(-c2ccccc2)cc1C[NH+]1CCN(Cc2cn3cccnc3n2)CC1 ZINC000106141342 325585651 /nfs/dbraw/zinc/58/56/51/325585651.db2.gz TZTAUQRAUZNEDJ-UHFFFAOYSA-N 1 2 373.464 2.233 10 0 FEAELO CN(c1cccnn1)C1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112345314 325773626 /nfs/dbraw/zinc/77/36/26/325773626.db2.gz MDAPVMQGZUVFHP-GOSISDBHSA-N 1 2 369.444 2.322 10 0 FEAELO C[C@H](CNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1)[NH+]1CCOCC1 ZINC000115796695 325978543 /nfs/dbraw/zinc/97/85/43/325978543.db2.gz SNPIMNKFXPZMLE-MJGOQNOKSA-N 1 2 360.502 2.018 10 0 FEAELO Cc1nnc(NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)s1 ZINC000116405407 326012148 /nfs/dbraw/zinc/01/21/48/326012148.db2.gz ODQCRBVMJYVXGQ-UHFFFAOYSA-N 1 2 352.489 2.351 10 0 FEAELO Cc1nnc(NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)s1 ZINC000116405407 326012152 /nfs/dbraw/zinc/01/21/52/326012152.db2.gz ODQCRBVMJYVXGQ-UHFFFAOYSA-N 1 2 352.489 2.351 10 0 FEAELO CCCCOCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116425241 326013337 /nfs/dbraw/zinc/01/33/37/326013337.db2.gz NJMDBZIWHDIRQD-UHFFFAOYSA-N 1 2 354.520 2.486 10 0 FEAELO CCCCOCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116425241 326013339 /nfs/dbraw/zinc/01/33/39/326013339.db2.gz NJMDBZIWHDIRQD-UHFFFAOYSA-N 1 2 354.520 2.486 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2F)C[C@H]1CC ZINC000116898937 326041219 /nfs/dbraw/zinc/04/12/19/326041219.db2.gz QBEDYICNFYBFAO-MRXNPFEDSA-N 1 2 358.479 2.088 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)Cc2ccccc2F)C[C@H]1CC ZINC000116898937 326041223 /nfs/dbraw/zinc/04/12/23/326041223.db2.gz QBEDYICNFYBFAO-MRXNPFEDSA-N 1 2 358.479 2.088 10 0 FEAELO Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCCNc3cccc[nH+]3)C2)n1 ZINC000117033658 326048187 /nfs/dbraw/zinc/04/81/87/326048187.db2.gz JDGKDQPRBICUEE-KRWDZBQOSA-N 1 2 371.489 2.214 10 0 FEAELO Cc1ccsc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117311180 326056564 /nfs/dbraw/zinc/05/65/64/326056564.db2.gz ZRUSPYNVMMOGSU-INIZCTEOSA-N 1 2 360.479 2.254 10 0 FEAELO O=C(Nc1ccccc1OCC(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000120406203 326256058 /nfs/dbraw/zinc/25/60/58/326256058.db2.gz LAIHPGCRIATOBF-CYBMUJFWSA-N 1 2 355.385 2.269 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)C2 ZINC000121321154 326329208 /nfs/dbraw/zinc/32/92/08/326329208.db2.gz LMJBVQHGZFEXPQ-UHFFFAOYSA-N 1 2 362.474 2.486 10 0 FEAELO CC(=O)Nc1ccccc1C[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000121463768 326340743 /nfs/dbraw/zinc/34/07/43/326340743.db2.gz KYQJTQFLHJYMTI-UHFFFAOYSA-N 1 2 355.486 2.313 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2F)CC[N@@H+]1CCOC ZINC000122268033 326390482 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C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1nnc2n1CCCC2 ZINC000164156555 327065449 /nfs/dbraw/zinc/06/54/49/327065449.db2.gz BIXDJELQIAHTLJ-CQSZACIVSA-N 1 2 365.441 2.361 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170922939 327107380 /nfs/dbraw/zinc/10/73/80/327107380.db2.gz ZLVNSELFKSQQGP-DOMZBBRYSA-N 1 2 370.291 2.010 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000170922939 327107382 /nfs/dbraw/zinc/10/73/82/327107382.db2.gz ZLVNSELFKSQQGP-DOMZBBRYSA-N 1 2 370.291 2.010 10 0 FEAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000170938896 327108381 /nfs/dbraw/zinc/10/83/81/327108381.db2.gz PSLKSZJOQJGYPM-CYBMUJFWSA-N 1 2 361.396 2.294 10 0 FEAELO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000170938896 327108383 /nfs/dbraw/zinc/10/83/83/327108383.db2.gz PSLKSZJOQJGYPM-CYBMUJFWSA-N 1 2 361.396 2.294 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](Cc3cnc4c(c3)c(C)nn4C)CC2)n1 ZINC000170942635 327108969 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CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173902688 327292965 /nfs/dbraw/zinc/29/29/65/327292965.db2.gz BPJPRPRLOSBMQZ-OAHLLOKOSA-N 1 2 374.485 2.153 10 0 FEAELO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914682 327294042 /nfs/dbraw/zinc/29/40/42/327294042.db2.gz SVGHOGHLUCRLGY-BBRMVZONSA-N 1 2 358.467 2.361 10 0 FEAELO C[C@@H](NC(=O)c1cnc2sccn2c1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173923830 327294937 /nfs/dbraw/zinc/29/49/37/327294937.db2.gz WICULZPVDIFOJG-GFCCVEGCSA-N 1 2 365.418 2.433 10 0 FEAELO C[C@H](NC(=O)CSc1nnnn1C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173940350 327296066 /nfs/dbraw/zinc/29/60/66/327296066.db2.gz XPVARNRYWXDERX-LBPRGKRZSA-N 1 2 369.454 2.163 10 0 FEAELO Cc1ccc(N2CCCC2)c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173959404 327297877 /nfs/dbraw/zinc/29/78/77/327297877.db2.gz NATDGKNVUSNPLB-XLIONFOSSA-N 1 2 357.498 2.388 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(N3CCC(C)CC3)nc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173961048 327298272 /nfs/dbraw/zinc/29/82/72/327298272.db2.gz XMCDXEFUTWKRQT-MJGOQNOKSA-N 1 2 372.513 2.111 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C[C@H]1[NH+]1CCOCC1 ZINC000173966356 327298526 /nfs/dbraw/zinc/29/85/26/327298526.db2.gz RFMWKFUPLPSGLW-QMTHXVAHSA-N 1 2 364.446 2.157 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccccc2OC)nc[nH+]1 ZINC000174157611 327309405 /nfs/dbraw/zinc/30/94/05/327309405.db2.gz FWUVNVOCZRRPRV-CYBMUJFWSA-N 1 2 356.430 2.317 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccccc2OC)[nH+]cn1 ZINC000174157611 327309406 /nfs/dbraw/zinc/30/94/06/327309406.db2.gz FWUVNVOCZRRPRV-CYBMUJFWSA-N 1 2 356.430 2.317 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000174876002 327357147 /nfs/dbraw/zinc/35/71/47/327357147.db2.gz ZSGXWALVPDAYLD-UHFFFAOYSA-N 1 2 351.454 2.248 10 0 FEAELO CN(C)c1ccc(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cn1 ZINC000176522125 327460574 /nfs/dbraw/zinc/46/05/74/327460574.db2.gz HNOXQLYPMIADFU-MRXNPFEDSA-N 1 2 374.510 2.355 10 0 FEAELO CC(C)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000176992091 327489323 /nfs/dbraw/zinc/48/93/23/327489323.db2.gz BCLKPNCBSWVIRK-QAPCUYQASA-N 1 2 352.500 2.151 10 0 FEAELO O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177769310 327543610 /nfs/dbraw/zinc/54/36/10/327543610.db2.gz ZOTIEUDVPBZMQL-UKRRQHHQSA-N 1 2 374.391 2.205 10 0 FEAELO CC1CCC(N2C[C@@H](C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)CC2=O)CC1 ZINC000177774580 327544206 /nfs/dbraw/zinc/54/42/06/327544206.db2.gz ZZTQAKYIRRARSV-JYSRZZCRSA-N 1 2 358.486 2.301 10 0 FEAELO CCCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000247110025 328668645 /nfs/dbraw/zinc/66/86/45/328668645.db2.gz WSBRSXDGXRGKPA-BBWFWOEESA-N 1 2 355.523 2.332 10 0 FEAELO CC[C@H](C)[C@@H](O)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000248366885 328714361 /nfs/dbraw/zinc/71/43/61/328714361.db2.gz SQSWGSNDMHBAKJ-IMJJTQAJSA-N 1 2 369.531 2.136 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N2C[C@H](C)O[C@@H](C)C2)[NH+]2CCOCC2)s1 ZINC000252649035 328794554 /nfs/dbraw/zinc/79/45/54/328794554.db2.gz OFBJEANVMGUQCZ-DZKIICNBSA-N 1 2 367.515 2.249 10 0 FEAELO O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262890098 328897993 /nfs/dbraw/zinc/89/79/93/328897993.db2.gz CMTHMNMOFRGXCW-CQSZACIVSA-N 1 2 371.815 2.012 10 0 FEAELO Cc1c([C@@H](C)NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cnn1-c1ccc(F)cc1 ZINC000263101370 328915576 /nfs/dbraw/zinc/91/55/76/328915576.db2.gz ZLESXSHRCURSCS-MEBBXXQBSA-N 1 2 352.360 2.494 10 0 FEAELO COc1cc(N[C@H]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc(OC)c1 ZINC000263227161 328926687 /nfs/dbraw/zinc/92/66/87/328926687.db2.gz MYYKXQAZPUOJRK-BLLLJJGKSA-N 1 2 369.412 2.104 10 0 FEAELO COC[C@H](NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000275767168 522710097 /nfs/dbraw/zinc/71/00/97/522710097.db2.gz XLFKAPUMZPOJKX-IRXDYDNUSA-N 1 2 374.485 2.270 10 0 FEAELO COc1cc(F)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1F ZINC000156173589 545605287 /nfs/dbraw/zinc/60/52/87/545605287.db2.gz YATLWEAHADAJQK-NHYWBVRUSA-N 1 2 355.385 2.158 10 0 FEAELO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C(C)C)c1 ZINC000172308443 546245851 /nfs/dbraw/zinc/24/58/51/546245851.db2.gz KXWZMJYUMPRGGR-MRXNPFEDSA-N 1 2 361.486 2.319 10 0 FEAELO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C(C)C)c1 ZINC000172308443 546245853 /nfs/dbraw/zinc/24/58/53/546245853.db2.gz KXWZMJYUMPRGGR-MRXNPFEDSA-N 1 2 361.486 2.319 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)c2c(C)noc2C)nc[nH+]1 ZINC000173447475 546281638 /nfs/dbraw/zinc/28/16/38/546281638.db2.gz ZQEYLHUWJXQEOE-FZMZJTMJSA-N 1 2 358.446 2.012 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)c2c(C)noc2C)[nH+]cn1 ZINC000173447475 546281640 /nfs/dbraw/zinc/28/16/40/546281640.db2.gz ZQEYLHUWJXQEOE-FZMZJTMJSA-N 1 2 358.446 2.012 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(Cl)cn2)nc[nH+]1 ZINC000175884042 546367012 /nfs/dbraw/zinc/36/70/12/546367012.db2.gz MCKKQEJZJLSGCB-LBPRGKRZSA-N 1 2 361.837 2.357 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(Cl)cn2)[nH+]cn1 ZINC000175884042 546367016 /nfs/dbraw/zinc/36/70/16/546367016.db2.gz MCKKQEJZJLSGCB-LBPRGKRZSA-N 1 2 361.837 2.357 10 0 FEAELO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)=N1 ZINC000176078015 546403052 /nfs/dbraw/zinc/40/30/52/546403052.db2.gz RQRCQKLWPZYRHY-ZFWWWQNUSA-N 1 2 358.417 2.334 10 0 FEAELO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)=N1 ZINC000176078015 546403056 /nfs/dbraw/zinc/40/30/56/546403056.db2.gz RQRCQKLWPZYRHY-ZFWWWQNUSA-N 1 2 358.417 2.334 10 0 FEAELO CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000176561940 546461889 /nfs/dbraw/zinc/46/18/89/546461889.db2.gz CKDJMTXBHDRGJL-INIZCTEOSA-N 1 2 369.473 2.114 10 0 FEAELO CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000176561940 546461890 /nfs/dbraw/zinc/46/18/90/546461890.db2.gz CKDJMTXBHDRGJL-INIZCTEOSA-N 1 2 369.473 2.114 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)c(F)c3F)CC2)cn1 ZINC000177199997 546569043 /nfs/dbraw/zinc/56/90/43/546569043.db2.gz IYVWCKOOQNDIDC-UHFFFAOYSA-N 1 2 352.360 2.186 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)c(F)c3F)CC2)cn1 ZINC000177199997 546569047 /nfs/dbraw/zinc/56/90/47/546569047.db2.gz IYVWCKOOQNDIDC-UHFFFAOYSA-N 1 2 352.360 2.186 10 0 FEAELO CCNC(=O)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177388058 546607399 /nfs/dbraw/zinc/60/73/99/546607399.db2.gz XRTBVGUFVANEFD-QGZVFWFLSA-N 1 2 355.442 2.007 10 0 FEAELO CCc1nnc(C[N@@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)n1C ZINC000178057671 546732472 /nfs/dbraw/zinc/73/24/72/546732472.db2.gz GCCCUJDKXRMLGL-CQSZACIVSA-N 1 2 359.474 2.471 10 0 FEAELO CCc1nnc(C[N@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)n1C ZINC000178057671 546732477 /nfs/dbraw/zinc/73/24/77/546732477.db2.gz GCCCUJDKXRMLGL-CQSZACIVSA-N 1 2 359.474 2.471 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1OC(F)F ZINC000178612439 546819509 /nfs/dbraw/zinc/81/95/09/546819509.db2.gz LPDJCDBRAZZFKK-CQSZACIVSA-N 1 2 353.369 2.394 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1OC(F)F ZINC000178612439 546819514 /nfs/dbraw/zinc/81/95/14/546819514.db2.gz LPDJCDBRAZZFKK-CQSZACIVSA-N 1 2 353.369 2.394 10 0 FEAELO COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)ccc1C ZINC000178613627 546820986 /nfs/dbraw/zinc/82/09/86/546820986.db2.gz QLYULIPDSVZFRQ-OAHLLOKOSA-N 1 2 354.414 2.482 10 0 FEAELO COc1cc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)ccc1C ZINC000178613627 546820992 /nfs/dbraw/zinc/82/09/92/546820992.db2.gz QLYULIPDSVZFRQ-OAHLLOKOSA-N 1 2 354.414 2.482 10 0 FEAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000178619466 546821140 /nfs/dbraw/zinc/82/11/40/546821140.db2.gz BAPKGQRPSGKVFW-ZDUSSCGKSA-N 1 2 352.442 2.404 10 0 FEAELO CN1C(=O)C[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000179163396 546908691 /nfs/dbraw/zinc/90/86/91/546908691.db2.gz XTPBKYYEQLCSQF-LPHOPBHVSA-N 1 2 366.396 2.309 10 0 FEAELO CC[C@H](C)Oc1cc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)ccn1 ZINC000180282163 547078590 /nfs/dbraw/zinc/07/85/90/547078590.db2.gz DEHSJYGAJDPMPZ-INIZCTEOSA-N 1 2 371.485 2.341 10 0 FEAELO CC[C@H](C)Oc1cc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ccn1 ZINC000180282163 547078593 /nfs/dbraw/zinc/07/85/93/547078593.db2.gz DEHSJYGAJDPMPZ-INIZCTEOSA-N 1 2 371.485 2.341 10 0 FEAELO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000182141730 547444123 /nfs/dbraw/zinc/44/41/23/547444123.db2.gz ACPCTHRWHARTAQ-CABCVRRESA-N 1 2 352.479 2.288 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC000182425705 547490391 /nfs/dbraw/zinc/49/03/91/547490391.db2.gz HKXSKOSTVFKWPJ-UHFFFAOYSA-N 1 2 362.474 2.295 10 0 FEAELO C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)c1ccccc1 ZINC000183056971 547593580 /nfs/dbraw/zinc/59/35/80/547593580.db2.gz JVHNVELPJNFNEF-UYAOXDASSA-N 1 2 368.477 2.374 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)c2cccc(Cl)c2F)C1 ZINC000184446995 547827927 /nfs/dbraw/zinc/82/79/27/547827927.db2.gz MOBZCNWCQHJENC-LBPRGKRZSA-N 1 2 357.857 2.387 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)c2cccc(Cl)c2F)C1 ZINC000184446995 547827930 /nfs/dbraw/zinc/82/79/30/547827930.db2.gz MOBZCNWCQHJENC-LBPRGKRZSA-N 1 2 357.857 2.387 10 0 FEAELO O=C(NC1C[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1)C1CCC1 ZINC000185935291 548061842 /nfs/dbraw/zinc/06/18/42/548061842.db2.gz IKKSRZXKSXRXEL-OAHLLOKOSA-N 1 2 372.387 2.046 10 0 FEAELO COC[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000194194101 548448213 /nfs/dbraw/zinc/44/82/13/548448213.db2.gz KCCFQVUBVOHNKL-XJKSGUPXSA-N 1 2 355.866 2.047 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)CCCOc2cccc(Br)c2)C1 ZINC000194635982 548510326 /nfs/dbraw/zinc/51/03/26/548510326.db2.gz XNFALIUZXNFPBY-OAHLLOKOSA-N 1 2 371.275 2.055 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)CCCOc2cccc(Br)c2)C1 ZINC000194635982 548510331 /nfs/dbraw/zinc/51/03/31/548510331.db2.gz XNFALIUZXNFPBY-OAHLLOKOSA-N 1 2 371.275 2.055 10 0 FEAELO O[C@@H](COCc1ccco1)C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195512964 548653683 /nfs/dbraw/zinc/65/36/83/548653683.db2.gz ABSMXAOHITWVHA-NVXWUHKLSA-N 1 2 360.458 2.312 10 0 FEAELO O[C@@H](COCc1ccco1)C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195512964 548653686 /nfs/dbraw/zinc/65/36/86/548653686.db2.gz ABSMXAOHITWVHA-NVXWUHKLSA-N 1 2 360.458 2.312 10 0 FEAELO Cn1cc(Br)c2sc(C[NH+]3CCC(O)CC3)cc2c1=O ZINC000220099994 548698872 /nfs/dbraw/zinc/69/88/72/548698872.db2.gz AJPMELHCTMDZRJ-UHFFFAOYSA-N 1 2 357.273 2.319 10 0 FEAELO O=S(=O)(c1ccc(Cl)nc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245198489 548898999 /nfs/dbraw/zinc/89/89/99/548898999.db2.gz NCRSEBYBEDZALG-JTQLQIEISA-N 1 2 350.271 2.247 10 0 FEAELO O=S(=O)(c1ccc(Cl)nc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245198489 548899003 /nfs/dbraw/zinc/89/90/03/548899003.db2.gz NCRSEBYBEDZALG-JTQLQIEISA-N 1 2 350.271 2.247 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000245431791 548917120 /nfs/dbraw/zinc/91/71/20/548917120.db2.gz AYALEGBUEXHYQP-WDSOQIARSA-N 1 2 374.481 2.460 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(C)Cc1cccc(OC)c1 ZINC000245431791 548917123 /nfs/dbraw/zinc/91/71/23/548917123.db2.gz AYALEGBUEXHYQP-WDSOQIARSA-N 1 2 374.481 2.460 10 0 FEAELO COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)=N2)cc1 ZINC000245703604 548979218 /nfs/dbraw/zinc/97/92/18/548979218.db2.gz MEQLTGYQEIZJJG-CZUORRHYSA-N 1 2 358.442 2.045 10 0 FEAELO COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)=N2)cc1 ZINC000245703604 548979221 /nfs/dbraw/zinc/97/92/21/548979221.db2.gz MEQLTGYQEIZJJG-CZUORRHYSA-N 1 2 358.442 2.045 10 0 FEAELO COc1cccc(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1OC(F)F ZINC000245755943 548989763 /nfs/dbraw/zinc/98/97/63/548989763.db2.gz OQAKHQKJPCCNML-DZGCQCFKSA-N 1 2 356.413 2.449 10 0 FEAELO Cc1cnn(C[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CCO2)c1 ZINC000246251364 549088706 /nfs/dbraw/zinc/08/87/06/549088706.db2.gz LPARWNPSMSWGIZ-WBVHZDCISA-N 1 2 356.474 2.123 10 0 FEAELO Cc1cnn(C[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)CCO2)c1 ZINC000246251364 549088711 /nfs/dbraw/zinc/08/87/11/549088711.db2.gz LPARWNPSMSWGIZ-WBVHZDCISA-N 1 2 356.474 2.123 10 0 FEAELO CC[C@H]1CN(C(=O)c2sc([C@H](C)OC)nc2C)CC[N@@H+]1CCOC ZINC000246403787 549126128 /nfs/dbraw/zinc/12/61/28/549126128.db2.gz GDOYVKFPMCWKQY-KBPBESRZSA-N 1 2 355.504 2.342 10 0 FEAELO CC[C@H]1CN(C(=O)c2sc([C@H](C)OC)nc2C)CC[N@H+]1CCOC ZINC000246403787 549126132 /nfs/dbraw/zinc/12/61/32/549126132.db2.gz GDOYVKFPMCWKQY-KBPBESRZSA-N 1 2 355.504 2.342 10 0 FEAELO O=c1c2ccccc2ncn1CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246609206 549174240 /nfs/dbraw/zinc/17/42/40/549174240.db2.gz HQHYHKHUCSJZAX-LIRRHRJNSA-N 1 2 371.387 2.483 10 0 FEAELO O=c1c2ccccc2ncn1CC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246609206 549174243 /nfs/dbraw/zinc/17/42/43/549174243.db2.gz HQHYHKHUCSJZAX-LIRRHRJNSA-N 1 2 371.387 2.483 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCO[C@@H](C)[C@@H]2C)c2cccs2)CCO1 ZINC000246760704 549206729 /nfs/dbraw/zinc/20/67/29/549206729.db2.gz 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O[C@@]12CCCC[C@@H]1C[N@@H+](Cn1nc(N3CCOCC3)sc1=S)CC2 ZINC000247175200 672847460 /nfs/dbraw/zinc/84/74/60/672847460.db2.gz UWBJJVWEXYQBPE-CZUORRHYSA-N 1 2 370.544 2.095 10 0 FEAELO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000248435182 672856306 /nfs/dbraw/zinc/85/63/06/672856306.db2.gz RMKZZZPWXDPWJY-KGLIPLIRSA-N 1 2 365.499 2.425 10 0 FEAELO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000248435182 672856312 /nfs/dbraw/zinc/85/63/12/672856312.db2.gz RMKZZZPWXDPWJY-KGLIPLIRSA-N 1 2 365.499 2.425 10 0 FEAELO COc1ccc2c(c1)C=C(S(=O)(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CC2 ZINC000248635151 672859224 /nfs/dbraw/zinc/85/92/24/672859224.db2.gz QCMPTPDIDBGQJV-KRWDZBQOSA-N 1 2 362.495 2.482 10 0 FEAELO COc1ccc2c(c1)C=C(S(=O)(=O)N1CC[N@H+]3CCCC[C@H]3C1)CC2 ZINC000248635151 672859228 /nfs/dbraw/zinc/85/92/28/672859228.db2.gz QCMPTPDIDBGQJV-KRWDZBQOSA-N 1 2 362.495 2.482 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(Br)cc2OC)C1 ZINC000263530033 672935963 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CCc1c(C(=O)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)[nH]c(C)c1C(C)=O ZINC000106171268 543211863 /nfs/dbraw/zinc/21/18/63/543211863.db2.gz LCTRSSFKEMBJHC-HNNXBMFYSA-N 1 2 357.458 2.275 10 0 FEAELO CCc1c(C(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)[nH]c(C)c1C(C)=O ZINC000106171268 543211864 /nfs/dbraw/zinc/21/18/64/543211864.db2.gz LCTRSSFKEMBJHC-HNNXBMFYSA-N 1 2 357.458 2.275 10 0 FEAELO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182411 543214256 /nfs/dbraw/zinc/21/42/56/543214256.db2.gz YQLQVFHJZPDAJX-UHFFFAOYSA-N 1 2 351.458 2.388 10 0 FEAELO CCc1ccc2c(C[N@@H+]3CCO[C@H](Cn4cccn4)C3)cc(=O)oc2c1 ZINC000106193239 543215780 /nfs/dbraw/zinc/21/57/80/543215780.db2.gz DSBOTNRXGKHNMB-KRWDZBQOSA-N 1 2 353.422 2.453 10 0 FEAELO CCc1ccc2c(C[N@H+]3CCO[C@H](Cn4cccn4)C3)cc(=O)oc2c1 ZINC000106193239 543215781 /nfs/dbraw/zinc/21/57/81/543215781.db2.gz DSBOTNRXGKHNMB-KRWDZBQOSA-N 1 2 353.422 2.453 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](Cc3cc(=O)oc4c(C)c(O)ccc34)CCO2)c1 ZINC000106197879 543216958 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C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000128164590 544036271 /nfs/dbraw/zinc/03/62/71/544036271.db2.gz HZUFDQWJWVYIHE-UONOGXRCSA-N 1 2 374.403 2.008 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000140415498 544408548 /nfs/dbraw/zinc/40/85/48/544408548.db2.gz SYUHZXBRQFIPSB-DYVFJYSZSA-N 1 2 352.504 2.302 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000140415498 544408550 /nfs/dbraw/zinc/40/85/50/544408550.db2.gz SYUHZXBRQFIPSB-DYVFJYSZSA-N 1 2 352.504 2.302 10 0 FEAELO COc1ccccc1[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000150929404 544487998 /nfs/dbraw/zinc/48/79/98/544487998.db2.gz OEZVBWHICYAWEK-HZPDHXFCSA-N 1 2 354.454 2.440 10 0 FEAELO COc1ccccc1[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000150929404 544488003 /nfs/dbraw/zinc/48/80/03/544488003.db2.gz OEZVBWHICYAWEK-HZPDHXFCSA-N 1 2 354.454 2.440 10 0 FEAELO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000151174926 544513888 /nfs/dbraw/zinc/51/38/88/544513888.db2.gz QVAHOTVKYIDCBL-INIZCTEOSA-N 1 2 354.878 2.160 10 0 FEAELO CC(C)(C)OC[C@@H](O)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000151174926 544513892 /nfs/dbraw/zinc/51/38/92/544513892.db2.gz QVAHOTVKYIDCBL-INIZCTEOSA-N 1 2 354.878 2.160 10 0 FEAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(N2CCCC2)c1 ZINC000151333203 544529557 /nfs/dbraw/zinc/52/95/57/544529557.db2.gz IDRNCERLWCVVAZ-PXNSSMCTSA-N 1 2 372.513 2.464 10 0 FEAELO CCn1cnnc1C1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000152182463 544622669 /nfs/dbraw/zinc/62/26/69/544622669.db2.gz FLKSWWBSKBZKPY-ZDUSSCGKSA-N 1 2 352.442 2.475 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)C[C@H]1C ZINC000152328858 544639999 /nfs/dbraw/zinc/63/99/99/544639999.db2.gz HMDQNQBDBCNFFS-HIFRSBDPSA-N 1 2 353.488 2.177 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)C[C@H]1C ZINC000152328858 544640001 /nfs/dbraw/zinc/64/00/01/544640001.db2.gz HMDQNQBDBCNFFS-HIFRSBDPSA-N 1 2 353.488 2.177 10 0 FEAELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nn1-c1cc(C)cc(C)c1 ZINC000180474819 327687412 /nfs/dbraw/zinc/68/74/12/327687412.db2.gz AHQSXVCJNRWKFG-SFHVURJKSA-N 1 2 368.481 2.344 10 0 FEAELO C[C@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@H]1CCCO1 ZINC000183115964 327802307 /nfs/dbraw/zinc/80/23/07/327802307.db2.gz XZDVCFROZPPNKQ-SMDDNHRTSA-N 1 2 364.446 2.264 10 0 FEAELO Cc1ccc2c(CCNC(=O)NC[C@@H](C)[NH+]3CCOCC3)cn(C)c2c1 ZINC000187392927 328022187 /nfs/dbraw/zinc/02/21/87/328022187.db2.gz XPRMMCPCGRXLHP-MRXNPFEDSA-N 1 2 358.486 2.049 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3oc(C)c(C)c3c2)C[C@H]1C ZINC000188259452 328076328 /nfs/dbraw/zinc/07/63/28/328076328.db2.gz VTCWAYPOQZEUDS-CYBMUJFWSA-N 1 2 373.453 2.167 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3oc(C)c(C)c3c2)C[C@H]1C ZINC000188259452 328076329 /nfs/dbraw/zinc/07/63/29/328076329.db2.gz VTCWAYPOQZEUDS-CYBMUJFWSA-N 1 2 373.453 2.167 10 0 FEAELO COc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1OCc1cccnc1 ZINC000189073794 328126976 /nfs/dbraw/zinc/12/69/76/328126976.db2.gz FWPPJJRYPCWFIU-HNNXBMFYSA-N 1 2 355.438 2.380 10 0 FEAELO COc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2C)cc1OCc1cccnc1 ZINC000189073794 328126977 /nfs/dbraw/zinc/12/69/77/328126977.db2.gz FWPPJJRYPCWFIU-HNNXBMFYSA-N 1 2 355.438 2.380 10 0 FEAELO CC[N@@H+]1CC[C@H](NC(=O)N2CC(CO)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189781346 328167559 /nfs/dbraw/zinc/16/75/59/328167559.db2.gz LHLAYCTXODVBIG-HOTGVXAUSA-N 1 2 355.841 2.248 10 0 FEAELO CC[N@H+]1CC[C@H](NC(=O)N2CC(CO)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189781346 328167560 /nfs/dbraw/zinc/16/75/60/328167560.db2.gz LHLAYCTXODVBIG-HOTGVXAUSA-N 1 2 355.841 2.248 10 0 FEAELO CCCCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000190768715 328231352 /nfs/dbraw/zinc/23/13/52/328231352.db2.gz MKOMABIGJBZZMN-MRXNPFEDSA-N 1 2 371.441 2.087 10 0 FEAELO COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000190769015 328231418 /nfs/dbraw/zinc/23/14/18/328231418.db2.gz BWNPUAQAWUQTQV-CYBMUJFWSA-N 1 2 362.817 2.175 10 0 FEAELO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cn(C)nc2C)CC1 ZINC000190830432 328234768 /nfs/dbraw/zinc/23/47/68/328234768.db2.gz AYHQKNZGTKWDGR-UHFFFAOYSA-N 1 2 350.507 2.357 10 0 FEAELO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cn(C)nc2C)CC1 ZINC000190830432 328234769 /nfs/dbraw/zinc/23/47/69/328234769.db2.gz AYHQKNZGTKWDGR-UHFFFAOYSA-N 1 2 350.507 2.357 10 0 FEAELO CCN(C)c1ccc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)cn1 ZINC000191339532 328260890 /nfs/dbraw/zinc/26/08/90/328260890.db2.gz SRMBXVNRQRKGEX-UHFFFAOYSA-N 1 2 356.518 2.206 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccc(N(C)CC)nc3)CC2)n1 ZINC000191339816 328261056 /nfs/dbraw/zinc/26/10/56/328261056.db2.gz AKIANTGGYTUPJP-UHFFFAOYSA-N 1 2 356.474 2.049 10 0 FEAELO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191992446 328292247 /nfs/dbraw/zinc/29/22/47/328292247.db2.gz AZNCQFCHUNDEQR-HOTGVXAUSA-N 1 2 353.507 2.037 10 0 FEAELO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191992446 328292248 /nfs/dbraw/zinc/29/22/48/328292248.db2.gz AZNCQFCHUNDEQR-HOTGVXAUSA-N 1 2 353.507 2.037 10 0 FEAELO C[N@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000192013638 328294008 /nfs/dbraw/zinc/29/40/08/328294008.db2.gz PMPNKXOLYJGPKO-OAHLLOKOSA-N 1 2 350.850 2.359 10 0 FEAELO C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000192013638 328294009 /nfs/dbraw/zinc/29/40/09/328294009.db2.gz PMPNKXOLYJGPKO-OAHLLOKOSA-N 1 2 350.850 2.359 10 0 FEAELO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000192013638 328294010 /nfs/dbraw/zinc/29/40/10/328294010.db2.gz PMPNKXOLYJGPKO-OAHLLOKOSA-N 1 2 350.850 2.359 10 0 FEAELO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000192013638 328294011 /nfs/dbraw/zinc/29/40/11/328294011.db2.gz PMPNKXOLYJGPKO-OAHLLOKOSA-N 1 2 350.850 2.359 10 0 FEAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000192013638 328294012 /nfs/dbraw/zinc/29/40/12/328294012.db2.gz PMPNKXOLYJGPKO-OAHLLOKOSA-N 1 2 350.850 2.359 10 0 FEAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000192013638 328294013 /nfs/dbraw/zinc/29/40/13/328294013.db2.gz PMPNKXOLYJGPKO-OAHLLOKOSA-N 1 2 350.850 2.359 10 0 FEAELO Cc1cnn([C@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000192577813 328326810 /nfs/dbraw/zinc/32/68/10/328326810.db2.gz QBZXBEQKTOINJF-INIZCTEOSA-N 1 2 351.447 2.441 10 0 FEAELO Cc1cnn([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000192577813 328326811 /nfs/dbraw/zinc/32/68/11/328326811.db2.gz QBZXBEQKTOINJF-INIZCTEOSA-N 1 2 351.447 2.441 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000192580823 328326999 /nfs/dbraw/zinc/32/69/99/328326999.db2.gz YIJHPXPBZHTSQV-GOSISDBHSA-N 1 2 367.497 2.196 10 0 FEAELO COc1ccccc1Nc1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000192916909 328346876 /nfs/dbraw/zinc/34/68/76/328346876.db2.gz IIQAFAWOBAINSN-OAHLLOKOSA-N 1 2 355.438 2.499 10 0 FEAELO COc1ccccc1Nc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000192916909 328346877 /nfs/dbraw/zinc/34/68/77/328346877.db2.gz IIQAFAWOBAINSN-OAHLLOKOSA-N 1 2 355.438 2.499 10 0 FEAELO CCOC(=O)[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000193854069 328399123 /nfs/dbraw/zinc/39/91/23/328399123.db2.gz DIYKCJBPBLUEJO-DOMZBBRYSA-N 1 2 370.902 2.498 10 0 FEAELO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)ccc1OCC(C)C ZINC000029957680 324454305 /nfs/dbraw/zinc/45/43/05/324454305.db2.gz VBCJNSYMWXTHAH-OAHLLOKOSA-N 1 2 350.459 2.181 10 0 FEAELO CC[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)Oc1cccc(F)c1 ZINC000084636061 325241191 /nfs/dbraw/zinc/24/11/91/325241191.db2.gz DFKBZLUOQZSKBU-GOEBONIOSA-N 1 2 353.438 2.003 10 0 FEAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000087063003 325272616 /nfs/dbraw/zinc/27/26/16/325272616.db2.gz FTQFEXSBZKDMIJ-OAHLLOKOSA-N 1 2 365.441 2.361 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106085087 325578358 /nfs/dbraw/zinc/57/83/58/325578358.db2.gz ZWGNGXAQXHWJOK-UHFFFAOYSA-N 1 2 367.453 2.219 10 0 FEAELO CCOc1ccccc1NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106085096 325578440 /nfs/dbraw/zinc/57/84/40/325578440.db2.gz VEUICPFZMCYVQS-UHFFFAOYSA-N 1 2 369.469 2.415 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)s1 ZINC000106091488 325579334 /nfs/dbraw/zinc/57/93/34/325579334.db2.gz OMQGJKCLCKEQRP-HNNXBMFYSA-N 1 2 358.511 2.274 10 0 FEAELO CC(=O)Nc1ccc(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106369940 325595571 /nfs/dbraw/zinc/59/55/71/325595571.db2.gz VUWRZIXRFYYESD-UHFFFAOYSA-N 1 2 369.469 2.499 10 0 FEAELO Cn1cc([C@@H]2CCN(C(=O)Nc3ccccc3C[NH+]3CCOCC3)C2)cn1 ZINC000116488867 326018670 /nfs/dbraw/zinc/01/86/70/326018670.db2.gz ZHBYYACHJLKIQB-MRXNPFEDSA-N 1 2 369.469 2.274 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)C[C@@H]1CC ZINC000116770474 326033265 /nfs/dbraw/zinc/03/32/65/326033265.db2.gz CLEXPFUPMVEZGQ-INIZCTEOSA-N 1 2 352.862 2.482 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)C[C@@H]1CC ZINC000116770474 326033266 /nfs/dbraw/zinc/03/32/66/326033266.db2.gz CLEXPFUPMVEZGQ-INIZCTEOSA-N 1 2 352.862 2.482 10 0 FEAELO Cc1cc(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)ccc1F ZINC000117310596 326056614 /nfs/dbraw/zinc/05/66/14/326056614.db2.gz IXWXQVVOWWFXKA-SFHVURJKSA-N 1 2 372.440 2.332 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)CC[N@@H+]1CCOC ZINC000117308284 326056884 /nfs/dbraw/zinc/05/68/84/326056884.db2.gz XGUUOABAPMKGLB-CQSZACIVSA-N 1 2 360.483 2.388 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)CC[N@H+]1CCOC ZINC000117308284 326056887 /nfs/dbraw/zinc/05/68/87/326056887.db2.gz XGUUOABAPMKGLB-CQSZACIVSA-N 1 2 360.483 2.388 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2Cl)CC[N@@H+]1CCOC ZINC000117372425 326059417 /nfs/dbraw/zinc/05/94/17/326059417.db2.gz NPTQEFJOQMHHOO-CQSZACIVSA-N 1 2 360.907 2.380 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2Cl)CC[N@H+]1CCOC ZINC000117372425 326059418 /nfs/dbraw/zinc/05/94/18/326059418.db2.gz NPTQEFJOQMHHOO-CQSZACIVSA-N 1 2 360.907 2.380 10 0 FEAELO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)s1 ZINC000118990318 326116312 /nfs/dbraw/zinc/11/63/12/326116312.db2.gz NUYZAEOJBXXZEN-NSHDSACASA-N 1 2 350.444 2.105 10 0 FEAELO C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2cccs2)CCO1 ZINC000119243580 326141144 /nfs/dbraw/zinc/14/11/44/326141144.db2.gz WDMTYFBRJMQWPT-OAGGEKHMSA-N 1 2 374.510 2.085 10 0 FEAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCNC(=O)C2CCCCC2)C1 ZINC000119516048 326170437 /nfs/dbraw/zinc/17/04/37/326170437.db2.gz KQRYWAYZDIRNQI-MRXNPFEDSA-N 1 2 360.502 2.288 10 0 FEAELO CC(C)n1cnnc1SCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120803864 326289502 /nfs/dbraw/zinc/28/95/02/326289502.db2.gz AYJBOIJZYGQINW-AWEZNQCLSA-N 1 2 362.503 2.166 10 0 FEAELO O=C(NCc1csc(-c2ccco2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000121463689 326340617 /nfs/dbraw/zinc/34/06/17/326340617.db2.gz VPKHGKKVNKNVEN-AWEZNQCLSA-N 1 2 362.455 2.019 10 0 FEAELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000121502764 326343321 /nfs/dbraw/zinc/34/33/21/326343321.db2.gz DZLRGNNUMHASSF-HZPDHXFCSA-N 1 2 361.467 2.124 10 0 FEAELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000121502764 326343322 /nfs/dbraw/zinc/34/33/22/326343322.db2.gz DZLRGNNUMHASSF-HZPDHXFCSA-N 1 2 361.467 2.124 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)C[C@@H]1[NH+]1CCOCC1 ZINC000121681137 326357557 /nfs/dbraw/zinc/35/75/57/326357557.db2.gz MMXBXKBFQJLNNP-GUYCJALGSA-N 1 2 359.401 2.273 10 0 FEAELO COc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1-c1ccccn1 ZINC000121816722 326369660 /nfs/dbraw/zinc/36/96/60/326369660.db2.gz CWSCWKJZEIWFHG-OAHLLOKOSA-N 1 2 355.438 2.208 10 0 FEAELO Cc1cnc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000123875943 326443979 /nfs/dbraw/zinc/44/39/79/326443979.db2.gz PMYPVNJWDZUYPE-LBPRGKRZSA-N 1 2 355.423 2.453 10 0 FEAELO C[C@@H](CNC(=O)c1cc(F)c(F)cc1Br)[NH+]1CCOCC1 ZINC000127845076 326513612 /nfs/dbraw/zinc/51/36/12/326513612.db2.gz XNWVWDRYWDOZTK-VIFPVBQESA-N 1 2 363.202 2.178 10 0 FEAELO C[C@H](CNC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)[NH+]1CCOCC1 ZINC000153623565 326737978 /nfs/dbraw/zinc/73/79/78/326737978.db2.gz IXUNHJJFIXVFDX-CABCVRRESA-N 1 2 358.442 2.423 10 0 FEAELO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000154775414 326768685 /nfs/dbraw/zinc/76/86/85/326768685.db2.gz APHXXKQNOJZJAP-CABCVRRESA-N 1 2 350.463 2.425 10 0 FEAELO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000162390971 327024509 /nfs/dbraw/zinc/02/45/09/327024509.db2.gz HUHXMOCHWLZLDL-CQSZACIVSA-N 1 2 367.877 2.385 10 0 FEAELO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000162390971 327024511 /nfs/dbraw/zinc/02/45/11/327024511.db2.gz HUHXMOCHWLZLDL-CQSZACIVSA-N 1 2 367.877 2.385 10 0 FEAELO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000163379050 327049853 /nfs/dbraw/zinc/04/98/53/327049853.db2.gz CQROMKGHTSVASN-OAHLLOKOSA-N 1 2 363.439 2.011 10 0 FEAELO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000163379050 327049855 /nfs/dbraw/zinc/04/98/55/327049855.db2.gz CQROMKGHTSVASN-OAHLLOKOSA-N 1 2 363.439 2.011 10 0 FEAELO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163783219 327058710 /nfs/dbraw/zinc/05/87/10/327058710.db2.gz CETFEUHPMFTEKK-XJKSGUPXSA-N 1 2 367.287 2.486 10 0 FEAELO Cc1cc(C)c2ncc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c(O)c2c1 ZINC000164147860 327065531 /nfs/dbraw/zinc/06/55/31/327065531.db2.gz AMHYTHHQXLHHJT-HNNXBMFYSA-N 1 2 355.438 2.104 10 0 FEAELO Cc1cc(C)c2ncc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c(O)c2c1 ZINC000164233942 327067117 /nfs/dbraw/zinc/06/71/17/327067117.db2.gz ZUMDRHDTDUQOIV-MAUKXSAKSA-N 1 2 369.465 2.350 10 0 FEAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000171063564 327115276 /nfs/dbraw/zinc/11/52/76/327115276.db2.gz JDUDFMHFHFRXIT-SECBINFHSA-N 1 2 370.203 2.477 10 0 FEAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000171063564 327115277 /nfs/dbraw/zinc/11/52/77/327115277.db2.gz JDUDFMHFHFRXIT-SECBINFHSA-N 1 2 370.203 2.477 10 0 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Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000183680042 547700251 /nfs/dbraw/zinc/70/02/51/547700251.db2.gz MGRQNMVSQZMUQI-QGZVFWFLSA-N 1 2 355.442 2.119 10 0 FEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000185683157 548019621 /nfs/dbraw/zinc/01/96/21/548019621.db2.gz FBNGGNGQBODSJJ-HOCLYGCPSA-N 1 2 362.499 2.436 10 0 FEAELO Cn1c[nH+]cc1CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000185884635 548052216 /nfs/dbraw/zinc/05/22/16/548052216.db2.gz XCVAAMXBJSZSIY-HUUCEWRRSA-N 1 2 353.344 2.316 10 0 FEAELO O=C(NC1C[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1)C1CCC1 ZINC000185935705 548061578 /nfs/dbraw/zinc/06/15/78/548061578.db2.gz BYMHVZBRKGAWID-CYBMUJFWSA-N 1 2 373.280 2.334 10 0 FEAELO Cn1c(CN2CC[C@H]([NH+]3CCOCC3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186348870 548123064 /nfs/dbraw/zinc/12/30/64/548123064.db2.gz CDTCNZHWROBZBX-INIZCTEOSA-N 1 2 361.877 2.042 10 0 FEAELO Cn1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186348870 548123068 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361.364 2.470 10 0 FEAELO C[C@@H](CNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[NH+]1CCOCC1 ZINC000046261814 540250177 /nfs/dbraw/zinc/25/01/77/540250177.db2.gz DLYYJAJQGKJZJG-ZDUSSCGKSA-N 1 2 360.433 2.095 10 0 FEAELO C[C@H](CNC(=O)N[C@H](c1ccccc1)c1ccccn1)[NH+]1CCOCC1 ZINC000047984502 540337983 /nfs/dbraw/zinc/33/79/83/540337983.db2.gz XGGCFHZQPNDROW-VQIMIIECSA-N 1 2 354.454 2.191 10 0 FEAELO C[C@@H]1C[NH+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000051115613 540422503 /nfs/dbraw/zinc/42/25/03/540422503.db2.gz YEJHDFLDZKPTDV-CHWSQXEVSA-N 1 2 360.376 2.353 10 0 FEAELO C[C@H]1C[NH+](CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 ZINC000051115610 540422687 /nfs/dbraw/zinc/42/26/87/540422687.db2.gz YEJHDFLDZKPTDV-STQMWFEESA-N 1 2 360.376 2.353 10 0 FEAELO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000052311751 540462373 /nfs/dbraw/zinc/46/23/73/540462373.db2.gz MMNXEHCEBRGMDS-IAGOWNOFSA-N 1 2 361.486 2.205 10 0 FEAELO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C 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365.499 2.081 10 0 FEAELO COCCN(CCOC)c1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040752055 208267562 /nfs/dbraw/zinc/26/75/62/208267562.db2.gz XWSVGMQEBBGRCP-UHFFFAOYSA-N 1 2 353.373 2.180 10 0 FEAELO Cc1cccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)c1 ZINC000224147010 132281655 /nfs/dbraw/zinc/28/16/55/132281655.db2.gz FKRGBOBFUVAPQT-UHFFFAOYSA-N 1 2 356.430 2.332 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000103478214 543110990 /nfs/dbraw/zinc/11/09/90/543110990.db2.gz MBQIKTAMPBVCDL-AWEZNQCLSA-N 1 2 373.457 2.133 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000103478214 543110995 /nfs/dbraw/zinc/11/09/95/543110995.db2.gz MBQIKTAMPBVCDL-AWEZNQCLSA-N 1 2 373.457 2.133 10 0 FEAELO O=C(CC[N@@H+]1CCO[C@H](c2nccs2)C1)NC(=O)Nc1ccccc1 ZINC000103478919 543111335 /nfs/dbraw/zinc/11/13/35/543111335.db2.gz AUINYPGOPQRYJW-AWEZNQCLSA-N 1 2 360.439 2.255 10 0 FEAELO O=C(CC[N@H+]1CCO[C@H](c2nccs2)C1)NC(=O)Nc1ccccc1 ZINC000103478919 543111336 /nfs/dbraw/zinc/11/13/36/543111336.db2.gz AUINYPGOPQRYJW-AWEZNQCLSA-N 1 2 360.439 2.255 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000103477830 543111382 /nfs/dbraw/zinc/11/13/82/543111382.db2.gz FCFBKRHIGDOGJN-AWEZNQCLSA-N 1 2 373.457 2.092 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1 ZINC000103477830 543111383 /nfs/dbraw/zinc/11/13/83/543111383.db2.gz FCFBKRHIGDOGJN-AWEZNQCLSA-N 1 2 373.457 2.092 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccnc2Oc2cccc(F)c2)C1 ZINC000104798939 543145069 /nfs/dbraw/zinc/14/50/69/543145069.db2.gz DXQCJHWFLWDMBN-KRWDZBQOSA-N 1 2 374.416 2.143 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccnc2Oc2cccc(F)c2)C1 ZINC000104798939 543145071 /nfs/dbraw/zinc/14/50/71/543145071.db2.gz DXQCJHWFLWDMBN-KRWDZBQOSA-N 1 2 374.416 2.143 10 0 FEAELO CCN(C(C)=O)c1nc(C[NH+]2CCC(N(C)c3cccnn3)CC2)cs1 ZINC000106084515 543193110 /nfs/dbraw/zinc/19/31/10/543193110.db2.gz AQPHVTTWKOSXNB-UHFFFAOYSA-N 1 2 374.514 2.407 10 0 FEAELO FC(F)(F)c1ccccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106093397 543194567 /nfs/dbraw/zinc/19/45/67/543194567.db2.gz ZKGPUZPSBZZDAB-UHFFFAOYSA-N 1 2 362.359 2.465 10 0 FEAELO Cc1noc([C@@H](C)N2CC[NH+](CC(=O)N(C)Cc3ccccc3C)CC2)n1 ZINC000106133398 543206450 /nfs/dbraw/zinc/20/64/50/543206450.db2.gz GABSAJYDDADELK-MRXNPFEDSA-N 1 2 371.485 2.024 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)n1 ZINC000106134443 543206706 /nfs/dbraw/zinc/20/67/06/543206706.db2.gz ODNDZHDZCZUJEL-KBXCAEBGSA-N 1 2 369.469 2.077 10 0 FEAELO CCc1nnc(CN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)o1 ZINC000106141377 543207769 /nfs/dbraw/zinc/20/77/69/543207769.db2.gz PDPNTSVXQLCJLZ-UHFFFAOYSA-N 1 2 352.442 2.136 10 0 FEAELO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106155873 543209840 /nfs/dbraw/zinc/20/98/40/543209840.db2.gz CAWVDFMGNLFGAA-HNNXBMFYSA-N 1 2 359.449 2.094 10 0 FEAELO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106155873 543209843 /nfs/dbraw/zinc/20/98/43/543209843.db2.gz CAWVDFMGNLFGAA-HNNXBMFYSA-N 1 2 359.449 2.094 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1F ZINC000106155932 543210647 /nfs/dbraw/zinc/21/06/47/543210647.db2.gz WLQZHNJNBLELQB-MRXNPFEDSA-N 1 2 373.476 2.403 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1F ZINC000106155932 543210648 /nfs/dbraw/zinc/21/06/48/543210648.db2.gz WLQZHNJNBLELQB-MRXNPFEDSA-N 1 2 373.476 2.403 10 0 FEAELO Cc1cnn(C[C@H]2CN(Cc3[nH+]ccn3Cc3ccccc3)CCO2)c1 ZINC000106195365 543216007 /nfs/dbraw/zinc/21/60/07/543216007.db2.gz RTOWWBUZWCGUJT-LJQANCHMSA-N 1 2 351.454 2.337 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n1 ZINC000106201763 543217467 /nfs/dbraw/zinc/21/74/67/543217467.db2.gz YEXGXUXHNOXLNH-ROUUACIJSA-N 1 2 350.507 2.235 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CCO2)n1 ZINC000106201763 543217471 /nfs/dbraw/zinc/21/74/71/543217471.db2.gz YEXGXUXHNOXLNH-ROUUACIJSA-N 1 2 350.507 2.235 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000106758998 543245644 /nfs/dbraw/zinc/24/56/44/543245644.db2.gz ICDWHEHDRRZNQN-GFCCVEGCSA-N 1 2 369.252 2.240 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000106758998 543245646 /nfs/dbraw/zinc/24/56/46/543245646.db2.gz ICDWHEHDRRZNQN-GFCCVEGCSA-N 1 2 369.252 2.240 10 0 FEAELO COc1ccc(CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C2CC2)cc1 ZINC000108930518 543308602 /nfs/dbraw/zinc/30/86/02/543308602.db2.gz FFXBEVDMJYBEAD-HNAYVOBHSA-N 1 2 361.486 2.336 10 0 FEAELO COc1ccc(CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C2CC2)cc1 ZINC000108930518 543308605 /nfs/dbraw/zinc/30/86/05/543308605.db2.gz FFXBEVDMJYBEAD-HNAYVOBHSA-N 1 2 361.486 2.336 10 0 FEAELO Cc1noc([C@H](C)N2CCN(c3cc(C)[nH+]c(-c4ccncc4)n3)CC2)n1 ZINC000108947531 543309015 /nfs/dbraw/zinc/30/90/15/543309015.db2.gz TYRHNWGBRCEGQL-AWEZNQCLSA-N 1 2 365.441 2.422 10 0 FEAELO CCc1cc(N2CCO[C@H](Cn3cccn3)C2)nc(-c2ccncc2)[nH+]1 ZINC000109320828 543321285 /nfs/dbraw/zinc/32/12/85/543321285.db2.gz NZKBXHRZEYIQMM-KRWDZBQOSA-N 1 2 350.426 2.203 10 0 FEAELO CC(C)COc1ncccc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000109656940 543331965 /nfs/dbraw/zinc/33/19/65/543331965.db2.gz YWOWVKQUVLAOFI-UHFFFAOYSA-N 1 2 371.485 2.198 10 0 FEAELO CC(C)COc1ncccc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000109656940 543331969 /nfs/dbraw/zinc/33/19/69/543331969.db2.gz YWOWVKQUVLAOFI-UHFFFAOYSA-N 1 2 371.485 2.198 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(OC)c3OC)CC2)cn1 ZINC000109661640 543333241 /nfs/dbraw/zinc/33/32/41/543333241.db2.gz UPFVRQHQVJCBOK-UHFFFAOYSA-N 1 2 372.469 2.268 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(OC)c3OC)CC2)cn1 ZINC000109661640 543333243 /nfs/dbraw/zinc/33/32/43/543333243.db2.gz UPFVRQHQVJCBOK-UHFFFAOYSA-N 1 2 372.469 2.268 10 0 FEAELO COc1ccc(CCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1OC ZINC000110111663 543349746 /nfs/dbraw/zinc/34/97/46/543349746.db2.gz UCTXYSBNUOBOPE-HNNXBMFYSA-N 1 2 358.442 2.110 10 0 FEAELO COc1ccc(CCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1OC ZINC000110111663 543349748 /nfs/dbraw/zinc/34/97/48/543349748.db2.gz UCTXYSBNUOBOPE-HNNXBMFYSA-N 1 2 358.442 2.110 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCN(C(=O)c4ccccn4)CC3)nc[nH+]2)C1 ZINC000110128382 543350184 /nfs/dbraw/zinc/35/01/84/543350184.db2.gz AEPRLFOPZRNABH-MRXNPFEDSA-N 1 2 366.469 2.070 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCN(C(=O)c4ccccn4)CC3)[nH+]cn2)C1 ZINC000110128382 543350187 /nfs/dbraw/zinc/35/01/87/543350187.db2.gz AEPRLFOPZRNABH-MRXNPFEDSA-N 1 2 366.469 2.070 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3ccc(C)c(C(N)=O)c3)CC2)s1 ZINC000111749609 543414030 /nfs/dbraw/zinc/41/40/30/543414030.db2.gz XZOHGZQVNMCIDV-UHFFFAOYSA-N 1 2 373.482 2.209 10 0 FEAELO O=C(NCCc1cn2ccccc2[nH+]1)N1CCO[C@@H](c2nccs2)C1 ZINC000111810802 543417120 /nfs/dbraw/zinc/41/71/20/543417120.db2.gz OIMGHJVTUGRTFR-CQSZACIVSA-N 1 2 357.439 2.116 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1Cc3ccccc3C(=O)O1)C2 ZINC000112665229 543456343 /nfs/dbraw/zinc/45/63/43/543456343.db2.gz JZXKAKGYNLYPKX-QGZVFWFLSA-N 1 2 353.422 2.210 10 0 FEAELO O=C(NC[C@H]1CC=CCC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117485825 543632906 /nfs/dbraw/zinc/63/29/06/543632906.db2.gz MBZALZGRTAIMRL-OALUTQOASA-N 1 2 373.497 2.110 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2F)C[C@@H]1CC ZINC000116898933 543618900 /nfs/dbraw/zinc/61/89/00/543618900.db2.gz IWMIMCAQJNEFLO-ZDUSSCGKSA-N 1 2 362.442 2.086 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2F)C[C@@H]1CC ZINC000116898933 543618902 /nfs/dbraw/zinc/61/89/02/543618902.db2.gz IWMIMCAQJNEFLO-ZDUSSCGKSA-N 1 2 362.442 2.086 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cn(C)nc3-c3cccnc3)CCO2)n1 ZINC000122564417 543710517 /nfs/dbraw/zinc/71/05/17/543710517.db2.gz PRGBVZGZPVONBG-IBGZPJMESA-N 1 2 366.469 2.196 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cn(C)nc3-c3cccnc3)CCO2)n1 ZINC000122564417 543710519 /nfs/dbraw/zinc/71/05/19/543710519.db2.gz PRGBVZGZPVONBG-IBGZPJMESA-N 1 2 366.469 2.196 10 0 FEAELO C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)O1 ZINC000123682808 543777289 /nfs/dbraw/zinc/77/72/89/543777289.db2.gz APRRBFNANHIINL-YOEHRIQHSA-N 1 2 352.862 2.431 10 0 FEAELO C[C@H](CNC(=O)Nc1ccc(N2CCSCC2)cc1)[NH+]1CCOCC1 ZINC000124341515 543815873 /nfs/dbraw/zinc/81/58/73/543815873.db2.gz GCLIRJDWHCFLRB-OAHLLOKOSA-N 1 2 364.515 2.082 10 0 FEAELO Cc1ccc(OC(F)F)c(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000124731548 543840090 /nfs/dbraw/zinc/84/00/90/543840090.db2.gz LJFHPWAIMJWFHF-OAHLLOKOSA-N 1 2 369.412 2.213 10 0 FEAELO CCc1cc(C)c(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)o1 ZINC000126498534 543939850 /nfs/dbraw/zinc/93/98/50/543939850.db2.gz SWMMFODEUUXILM-QGZVFWFLSA-N 1 2 372.465 2.348 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000126996698 543967471 /nfs/dbraw/zinc/96/74/71/543967471.db2.gz DNPGWFYOCIBICT-KGLIPLIRSA-N 1 2 363.355 2.449 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000126996698 543967474 /nfs/dbraw/zinc/96/74/74/543967474.db2.gz DNPGWFYOCIBICT-KGLIPLIRSA-N 1 2 363.355 2.449 10 0 FEAELO CCc1nnc([C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3C)CCO2)[nH]1 ZINC000129190417 544096288 /nfs/dbraw/zinc/09/62/88/544096288.db2.gz ZQSUFNDQZLJENS-KRWDZBQOSA-N 1 2 352.442 2.435 10 0 FEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3C)CCO2)[nH]1 ZINC000129190417 544096291 /nfs/dbraw/zinc/09/62/91/544096291.db2.gz ZQSUFNDQZLJENS-KRWDZBQOSA-N 1 2 352.442 2.435 10 0 FEAELO CC[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000132445446 544231657 /nfs/dbraw/zinc/23/16/57/544231657.db2.gz VRIJSVZJTMNSBX-HZPDHXFCSA-N 1 2 374.403 2.008 10 0 FEAELO Fc1cc(-c2noc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)n2)cc(F)c1F ZINC000135254823 544339164 /nfs/dbraw/zinc/33/91/64/544339164.db2.gz LYWCBFILVUKRHT-GFCCVEGCSA-N 1 2 368.359 2.060 10 0 FEAELO Fc1cc(-c2noc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)n2)cc(F)c1F ZINC000135254823 544339167 /nfs/dbraw/zinc/33/91/67/544339167.db2.gz LYWCBFILVUKRHT-GFCCVEGCSA-N 1 2 368.359 2.060 10 0 FEAELO Fc1cc(-c2noc(CN3CC[C@@H]([NH+]4CCOCC4)C3)n2)cc(F)c1F ZINC000135254823 544339171 /nfs/dbraw/zinc/33/91/71/544339171.db2.gz LYWCBFILVUKRHT-GFCCVEGCSA-N 1 2 368.359 2.060 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000137493829 544390642 /nfs/dbraw/zinc/39/06/42/544390642.db2.gz NDECDCAAWFHPCL-ZDUSSCGKSA-N 1 2 362.503 2.432 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000137493829 544390645 /nfs/dbraw/zinc/39/06/45/544390645.db2.gz NDECDCAAWFHPCL-ZDUSSCGKSA-N 1 2 362.503 2.432 10 0 FEAELO COc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152317110 544639117 /nfs/dbraw/zinc/63/91/17/544639117.db2.gz WSNURWHUDRZDHT-QGZVFWFLSA-N 1 2 362.451 2.017 10 0 FEAELO COc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152317110 544639122 /nfs/dbraw/zinc/63/91/22/544639122.db2.gz WSNURWHUDRZDHT-QGZVFWFLSA-N 1 2 362.451 2.017 10 0 FEAELO Brc1cc2c(c(CN3CC[C@H]([NH+]4CCOCC4)C3)c1)OCC2 ZINC000153773696 544821787 /nfs/dbraw/zinc/82/17/87/544821787.db2.gz UHDJZSLINZJSKX-INIZCTEOSA-N 1 2 367.287 2.291 10 0 FEAELO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153854455 544832337 /nfs/dbraw/zinc/83/23/37/544832337.db2.gz XXIFMMMQAZRHFP-KRWDZBQOSA-N 1 2 370.453 2.150 10 0 FEAELO CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000153854455 544832341 /nfs/dbraw/zinc/83/23/41/544832341.db2.gz XXIFMMMQAZRHFP-KRWDZBQOSA-N 1 2 370.453 2.150 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000154615525 544928480 /nfs/dbraw/zinc/92/84/80/544928480.db2.gz VBCODNRALUVVIK-CQSZACIVSA-N 1 2 361.471 2.223 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000154615525 544928485 /nfs/dbraw/zinc/92/84/85/544928485.db2.gz VBCODNRALUVVIK-CQSZACIVSA-N 1 2 361.471 2.223 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)N[C@H]1CCCOCC1 ZINC000181795723 327746736 /nfs/dbraw/zinc/74/67/36/327746736.db2.gz KPVYIYAFESGAHU-JKSUJKDBSA-N 1 2 367.515 2.332 10 0 FEAELO CCO[C@H]1C[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C12CCOCC2 ZINC000185958478 327940939 /nfs/dbraw/zinc/94/09/39/327940939.db2.gz CNERFECRYZLPFM-CVEARBPZSA-N 1 2 358.442 2.108 10 0 FEAELO CC(C)CN1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000187076655 328000882 /nfs/dbraw/zinc/00/08/82/328000882.db2.gz DIRYJBZYWBSBIL-KRWDZBQOSA-N 1 2 354.878 2.018 10 0 FEAELO CC(C)CN1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000187076655 328000883 /nfs/dbraw/zinc/00/08/83/328000883.db2.gz DIRYJBZYWBSBIL-KRWDZBQOSA-N 1 2 354.878 2.018 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3occ(C)c3c2)C[C@@H]1C ZINC000188258612 328076410 /nfs/dbraw/zinc/07/64/10/328076410.db2.gz UHVRXWHBPJSLSH-HNNXBMFYSA-N 1 2 373.453 2.249 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3occ(C)c3c2)C[C@@H]1C ZINC000188258612 328076412 /nfs/dbraw/zinc/07/64/12/328076412.db2.gz UHVRXWHBPJSLSH-HNNXBMFYSA-N 1 2 373.453 2.249 10 0 FEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000190554943 328215910 /nfs/dbraw/zinc/21/59/10/328215910.db2.gz VYXKOQADTWAJOC-HNNXBMFYSA-N 1 2 359.478 2.302 10 0 FEAELO O=C(Nc1ccc2ncsc2c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190758288 328230521 /nfs/dbraw/zinc/23/05/21/328230521.db2.gz IKQXRXUQBSGNQA-CYBMUJFWSA-N 1 2 355.423 2.123 10 0 FEAELO O=C(Nc1c(F)cc(Cl)cc1F)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190770978 328231595 /nfs/dbraw/zinc/23/15/95/328231595.db2.gz GZVKSHUVHXHZLZ-LLVKDONJSA-N 1 2 368.771 2.444 10 0 FEAELO CCCOc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C)c1 ZINC000191745742 328279789 /nfs/dbraw/zinc/27/97/89/328279789.db2.gz PGFZDEGSJTWECK-GOSISDBHSA-N 1 2 361.486 2.400 10 0 FEAELO CCc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191753671 328280050 /nfs/dbraw/zinc/28/00/50/328280050.db2.gz WEWVWEUEYQEXHJ-SFHVURJKSA-N 1 2 367.453 2.415 10 0 FEAELO CCCOc1cc(OC)ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000191916973 328288718 /nfs/dbraw/zinc/28/87/18/328288718.db2.gz LTQBRDAPAHRTFV-YJBOKZPZSA-N 1 2 362.470 2.277 10 0 FEAELO CC(C)c1nnc2n1C[C@@H](Nc1cc(N3CCSCC3)nc[nH+]1)CC2 ZINC000192296043 328311749 /nfs/dbraw/zinc/31/17/49/328311749.db2.gz ORQPXGAGCQYEIN-ZDUSSCGKSA-N 1 2 359.503 2.172 10 0 FEAELO CC(C)c1nnc2n1C[C@@H](Nc1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC000192296043 328311750 /nfs/dbraw/zinc/31/17/50/328311750.db2.gz ORQPXGAGCQYEIN-ZDUSSCGKSA-N 1 2 359.503 2.172 10 0 FEAELO Cc1nc(C[C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)no1 ZINC000192571049 328326511 /nfs/dbraw/zinc/32/65/11/328326511.db2.gz CLTGTDIWVHUSLS-AWEZNQCLSA-N 1 2 367.446 2.246 10 0 FEAELO Cc1nc(C[C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)no1 ZINC000192571049 328326512 /nfs/dbraw/zinc/32/65/12/328326512.db2.gz CLTGTDIWVHUSLS-AWEZNQCLSA-N 1 2 367.446 2.246 10 0 FEAELO CCCCOC[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000193381636 328371900 /nfs/dbraw/zinc/37/19/00/328371900.db2.gz MDSPBQLUECCPPC-QGZVFWFLSA-N 1 2 354.878 2.162 10 0 FEAELO CCCCOC[C@H](O)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000193381636 328371901 /nfs/dbraw/zinc/37/19/01/328371901.db2.gz MDSPBQLUECCPPC-QGZVFWFLSA-N 1 2 354.878 2.162 10 0 FEAELO O=C(Nc1nc2c(s1)CCCCC2)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000193425963 328374621 /nfs/dbraw/zinc/37/46/21/328374621.db2.gz VXHGPFBASMYLIB-CYBMUJFWSA-N 1 2 373.482 2.238 10 0 FEAELO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)s1 ZINC000055170434 324771024 /nfs/dbraw/zinc/77/10/24/324771024.db2.gz SHTQTSGFWMRJAH-GOSISDBHSA-N 1 2 374.506 2.392 10 0 FEAELO COc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000076661943 324959260 /nfs/dbraw/zinc/95/92/60/324959260.db2.gz ITSGJBFTGQLSSN-ZDUSSCGKSA-N 1 2 365.393 2.092 10 0 FEAELO C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000077277585 324984235 /nfs/dbraw/zinc/98/42/35/324984235.db2.gz HAESAEHPHQZGCL-CQSZACIVSA-N 1 2 356.426 2.100 10 0 FEAELO COc1ccc2ccccc2c1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000077772861 325014498 /nfs/dbraw/zinc/01/44/98/325014498.db2.gz UYTWYQZULBAJQI-HNNXBMFYSA-N 1 2 357.454 2.368 10 0 FEAELO C[C@H](CNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)[NH+]1CCOCC1 ZINC000078445205 325046212 /nfs/dbraw/zinc/04/62/12/325046212.db2.gz DZEUJBLYYIOSFN-KGLIPLIRSA-N 1 2 362.499 2.194 10 0 FEAELO Cc1n[nH]c(SCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000081020804 325154489 /nfs/dbraw/zinc/15/44/89/325154489.db2.gz XFZLULBTUMLUIL-MRXNPFEDSA-N 1 2 359.499 2.376 10 0 FEAELO Cc1n[nH]c(SCC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000081020804 325154494 /nfs/dbraw/zinc/15/44/94/325154494.db2.gz XFZLULBTUMLUIL-MRXNPFEDSA-N 1 2 359.499 2.376 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000083066912 325212696 /nfs/dbraw/zinc/21/26/96/325212696.db2.gz HFXWIVHODDHIGQ-NSHDSACASA-N 1 2 355.847 2.498 10 0 FEAELO CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000087056393 325271955 /nfs/dbraw/zinc/27/19/55/325271955.db2.gz BHQFJBLRQOJZPD-OAHLLOKOSA-N 1 2 371.489 2.416 10 0 FEAELO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3cccnn3)CC2)sc1C ZINC000106080734 325577529 /nfs/dbraw/zinc/57/75/29/325577529.db2.gz PVVVQAYHGKVWMU-GFCCVEGCSA-N 1 2 360.487 2.453 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)n1 ZINC000106152763 325586545 /nfs/dbraw/zinc/58/65/45/325586545.db2.gz FTOWEYSBNRNOLP-UHFFFAOYSA-N 1 2 358.442 2.215 10 0 FEAELO CCn1cnnc1C1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000107305816 325623855 /nfs/dbraw/zinc/62/38/55/325623855.db2.gz LJIRUZWPPHAEOI-AWEZNQCLSA-N 1 2 352.446 2.214 10 0 FEAELO CCc1nc(CC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cs1 ZINC000110940928 325696995 /nfs/dbraw/zinc/69/69/95/325696995.db2.gz GNDAGXJRCIDKKV-UHFFFAOYSA-N 1 2 350.513 2.357 10 0 FEAELO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000245534714 328556587 /nfs/dbraw/zinc/55/65/87/328556587.db2.gz WHBYXCSAEGTISD-KURKYZTESA-N 1 2 353.507 2.086 10 0 FEAELO CCC[C@H](CC)NC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117486427 326062783 /nfs/dbraw/zinc/06/27/83/326062783.db2.gz WVZWDGDYMRDLCB-ROUUACIJSA-N 1 2 363.502 2.332 10 0 FEAELO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120329910 326250021 /nfs/dbraw/zinc/25/00/21/326250021.db2.gz VNNSCFJWUBILLG-HOTGVXAUSA-N 1 2 360.502 2.286 10 0 FEAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cccc(-c2cccs2)c1 ZINC000120387953 326254653 /nfs/dbraw/zinc/25/46/53/326254653.db2.gz NMVIHSAYWCYKRF-INIZCTEOSA-N 1 2 361.467 2.230 10 0 FEAELO CC(=O)Nc1ccc(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000120548761 326267729 /nfs/dbraw/zinc/26/77/29/326267729.db2.gz OFGUFRJYBLDFDB-OAQYLSRUSA-N 1 2 353.466 2.496 10 0 FEAELO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000120734924 326283593 /nfs/dbraw/zinc/28/35/93/326283593.db2.gz KSUZTRYJFZDZJN-DOTOQJQBSA-N 1 2 369.469 2.443 10 0 FEAELO COCCOc1ccc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)cc1 ZINC000121329921 326330274 /nfs/dbraw/zinc/33/02/74/326330274.db2.gz CIORKLBYTNWALV-OAHLLOKOSA-N 1 2 360.458 2.282 10 0 FEAELO CCOC(=O)c1ccc(C[NH+]2CCN([C@H](C)c3nc(CC)no3)CC2)o1 ZINC000121414971 326336970 /nfs/dbraw/zinc/33/69/70/326336970.db2.gz VBFQROUSHHXOOB-CYBMUJFWSA-N 1 2 362.430 2.281 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)n1 ZINC000121512928 326344177 /nfs/dbraw/zinc/34/41/77/326344177.db2.gz VQPYPAUYOKRNPV-UHFFFAOYSA-N 1 2 358.442 2.215 10 0 FEAELO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121797849 326368213 /nfs/dbraw/zinc/36/82/13/326368213.db2.gz HKXZCCCBVAMCJZ-MRXNPFEDSA-N 1 2 356.426 2.386 10 0 FEAELO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000121797849 326368215 /nfs/dbraw/zinc/36/82/15/326368215.db2.gz HKXZCCCBVAMCJZ-MRXNPFEDSA-N 1 2 356.426 2.386 10 0 FEAELO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1nnc2n1CCCC2 ZINC000153158713 326725420 /nfs/dbraw/zinc/72/54/20/326725420.db2.gz YMCYRYMFNIEKSP-AWEZNQCLSA-N 1 2 357.462 2.262 10 0 FEAELO Cn1nccc1C1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000156207547 326821912 /nfs/dbraw/zinc/82/19/12/326821912.db2.gz ZGPXBRQDJQXRLA-UHFFFAOYSA-N 1 2 365.441 2.090 10 0 FEAELO Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000170683431 327093487 /nfs/dbraw/zinc/09/34/87/327093487.db2.gz QHPQEUAZLOIEMA-KRWDZBQOSA-N 1 2 367.449 2.308 10 0 FEAELO Cc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000170683431 327093488 /nfs/dbraw/zinc/09/34/88/327093488.db2.gz QHPQEUAZLOIEMA-KRWDZBQOSA-N 1 2 367.449 2.308 10 0 FEAELO C[C@H](CNC(=O)N[C@@H](c1ccccc1)c1cccnc1)[NH+]1CCOCC1 ZINC000170892049 327105686 /nfs/dbraw/zinc/10/56/86/327105686.db2.gz CFYKXXYRTDMCCP-APWZRJJASA-N 1 2 354.454 2.191 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000171288736 327130050 /nfs/dbraw/zinc/13/00/50/327130050.db2.gz CDBQLBUWWJPZAC-MRXNPFEDSA-N 1 2 362.433 2.357 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000171288736 327130052 /nfs/dbraw/zinc/13/00/52/327130052.db2.gz CDBQLBUWWJPZAC-MRXNPFEDSA-N 1 2 362.433 2.357 10 0 FEAELO COc1ccc(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000171808499 327162933 /nfs/dbraw/zinc/16/29/33/327162933.db2.gz CDZHQTGBFITLOL-UHFFFAOYSA-N 1 2 360.483 2.488 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNc2ncnc3c2cnn3C)c2cccs2)CCO1 ZINC000171986940 327174630 /nfs/dbraw/zinc/17/46/30/327174630.db2.gz WTUGFIAHXKFZJD-OCCSQVGLSA-N 1 2 358.471 2.299 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNc2ncnc3c2cnn3C)c2cccs2)CCO1 ZINC000171986940 327174631 /nfs/dbraw/zinc/17/46/31/327174631.db2.gz WTUGFIAHXKFZJD-OCCSQVGLSA-N 1 2 358.471 2.299 10 0 FEAELO CCc1nnc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)n1C ZINC000172097435 327180651 /nfs/dbraw/zinc/18/06/51/327180651.db2.gz RPGMEKNEUJOYIQ-GFCCVEGCSA-N 1 2 372.391 2.268 10 0 FEAELO CCc1nnc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)n1C ZINC000172097435 327180653 /nfs/dbraw/zinc/18/06/53/327180653.db2.gz RPGMEKNEUJOYIQ-GFCCVEGCSA-N 1 2 372.391 2.268 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CCO2)n1 ZINC000172793784 327219541 /nfs/dbraw/zinc/21/95/41/327219541.db2.gz VOWWJGZVPXUYQV-RBUKOAKNSA-N 1 2 370.453 2.226 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CCO2)n1 ZINC000172793784 327219542 /nfs/dbraw/zinc/21/95/42/327219542.db2.gz VOWWJGZVPXUYQV-RBUKOAKNSA-N 1 2 370.453 2.226 10 0 FEAELO CC[C@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)CC[N@@H+]1CCOC ZINC000172934073 327226394 /nfs/dbraw/zinc/22/63/94/327226394.db2.gz CFWHNGXGLOITJP-HNNXBMFYSA-N 1 2 360.483 2.388 10 0 FEAELO CC[C@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)CC[N@H+]1CCOC ZINC000172934073 327226395 /nfs/dbraw/zinc/22/63/95/327226395.db2.gz CFWHNGXGLOITJP-HNNXBMFYSA-N 1 2 360.483 2.388 10 0 FEAELO CCOc1ccc(CC(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000173419648 327255161 /nfs/dbraw/zinc/25/51/61/327255161.db2.gz PMHRUDYBTKRLPU-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CCOc1ccc(CC(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)cc1 ZINC000173419648 327255163 /nfs/dbraw/zinc/25/51/63/327255163.db2.gz PMHRUDYBTKRLPU-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Oc2ccccc2)nc[nH+]1 ZINC000173419368 327255296 /nfs/dbraw/zinc/25/52/96/327255296.db2.gz WRDGXKYXYRCZAA-GJZGRUSLSA-N 1 2 355.442 2.071 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)Oc2ccccc2)[nH+]cn1 ZINC000173419368 327255297 /nfs/dbraw/zinc/25/52/97/327255297.db2.gz WRDGXKYXYRCZAA-GJZGRUSLSA-N 1 2 355.442 2.071 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2csc(C3CC3)n2)nc[nH+]1 ZINC000173447322 327257813 /nfs/dbraw/zinc/25/78/13/327257813.db2.gz FWOQOVQVBOUOQL-GFCCVEGCSA-N 1 2 358.471 2.251 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2csc(C3CC3)n2)[nH+]cn1 ZINC000173447322 327257814 /nfs/dbraw/zinc/25/78/14/327257814.db2.gz FWOQOVQVBOUOQL-GFCCVEGCSA-N 1 2 358.471 2.251 10 0 FEAELO Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173824636 327286512 /nfs/dbraw/zinc/28/65/12/327286512.db2.gz KSJPSHJHVOHMGA-PKOBYXMFSA-N 1 2 358.482 2.445 10 0 FEAELO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)ccc1OC(F)F ZINC000173860061 327289631 /nfs/dbraw/zinc/28/96/31/327289631.db2.gz LKDIRLPIFUEJNI-JSGCOSHPSA-N 1 2 370.396 2.089 10 0 FEAELO Cc1nc(-c2ccco2)ccc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173889140 327291879 /nfs/dbraw/zinc/29/18/79/327291879.db2.gz QWELYFFFUXSTNP-KDOFPFPSSA-N 1 2 355.438 2.443 10 0 FEAELO C[C@H](NC(=O)CS(=O)(=O)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173913040 327294020 /nfs/dbraw/zinc/29/40/20/327294020.db2.gz KRBRMSUXFOZQCI-AWEZNQCLSA-N 1 2 361.467 2.407 10 0 FEAELO C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173919514 327294504 /nfs/dbraw/zinc/29/45/04/327294504.db2.gz BWZJWSKJPHZJPE-UONOGXRCSA-N 1 2 352.394 2.461 10 0 FEAELO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000173926545 327295195 /nfs/dbraw/zinc/29/51/95/327295195.db2.gz GWJNXAULWLZSIN-HNNXBMFYSA-N 1 2 357.376 2.050 10 0 FEAELO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000173926545 327295196 /nfs/dbraw/zinc/29/51/96/327295196.db2.gz GWJNXAULWLZSIN-HNNXBMFYSA-N 1 2 357.376 2.050 10 0 FEAELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000173926545 327295197 /nfs/dbraw/zinc/29/51/97/327295197.db2.gz GWJNXAULWLZSIN-HNNXBMFYSA-N 1 2 357.376 2.050 10 0 FEAELO C[C@@H](NC(=O)[C@H](C)NC(=O)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173933289 327295534 /nfs/dbraw/zinc/29/55/34/327295534.db2.gz JRPLQTHZJNKGPN-KGLIPLIRSA-N 1 2 352.394 2.461 10 0 FEAELO Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173970204 327298758 /nfs/dbraw/zinc/29/87/58/327298758.db2.gz FTRCBTPQGJWIEY-FZMZJTMJSA-N 1 2 357.376 2.202 10 0 FEAELO Nc1nc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)nc2sc3c(c21)CCCC3 ZINC000173986017 327299853 /nfs/dbraw/zinc/29/98/53/327299853.db2.gz VASNYZVRFXBUSF-CYBMUJFWSA-N 1 2 373.526 2.059 10 0 FEAELO Nc1nc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)nc2sc3c(c21)CCCC3 ZINC000173986017 327299854 /nfs/dbraw/zinc/29/98/54/327299854.db2.gz VASNYZVRFXBUSF-CYBMUJFWSA-N 1 2 373.526 2.059 10 0 FEAELO Nc1nc(CN2CC[C@@H]([NH+]3CCOCC3)C2)nc2sc3c(c21)CCCC3 ZINC000173986017 327299855 /nfs/dbraw/zinc/29/98/55/327299855.db2.gz VASNYZVRFXBUSF-CYBMUJFWSA-N 1 2 373.526 2.059 10 0 FEAELO C[C@H](NC(=O)NCCCN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000174012671 327301571 /nfs/dbraw/zinc/30/15/71/327301571.db2.gz IFHNMLITJVYLLW-HNNXBMFYSA-N 1 2 355.442 2.245 10 0 FEAELO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000174507458 327331581 /nfs/dbraw/zinc/33/15/81/327331581.db2.gz LFBCTGHHRLEXQS-MRXNPFEDSA-N 1 2 371.485 2.343 10 0 FEAELO Cc1ccc([C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000174785384 327350837 /nfs/dbraw/zinc/35/08/37/327350837.db2.gz YUBBJPMSUVEAME-IFMALSPDSA-N 1 2 370.493 2.086 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCC(=O)Nc2ccccc2C)CC1 ZINC000174783643 327350884 /nfs/dbraw/zinc/35/08/84/327350884.db2.gz FFXVUFGLGRLAJU-UHFFFAOYSA-N 1 2 369.513 2.492 10 0 FEAELO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174948079 327363056 /nfs/dbraw/zinc/36/30/56/327363056.db2.gz VGYXLHGQAXEHMV-CVEARBPZSA-N 1 2 374.485 2.424 10 0 FEAELO O[C@@H](COc1ccccc1)C[NH+]1CCN(Cc2cnc(Cl)s2)CC1 ZINC000175436510 327392901 /nfs/dbraw/zinc/39/29/01/327392901.db2.gz VFJCIZHXMXEAEU-CQSZACIVSA-N 1 2 367.902 2.354 10 0 FEAELO C[C@H](NC(=O)NCc1nnc2n1CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000176395308 327453025 /nfs/dbraw/zinc/45/30/25/327453025.db2.gz DCFWSKNKALTAGQ-AWEZNQCLSA-N 1 2 365.441 2.361 10 0 FEAELO C[C@H](CNC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000176406118 327453988 /nfs/dbraw/zinc/45/39/88/327453988.db2.gz PDXGUDVATBARFB-KFWWJZLASA-N 1 2 350.463 2.329 10 0 FEAELO C[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)C[C@H]1[NH+]1CCOCC1 ZINC000177892389 327551547 /nfs/dbraw/zinc/55/15/47/327551547.db2.gz PHNIJZFDLRSNKK-KBXCAEBGSA-N 1 2 357.454 2.390 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)[C@@H](O)c2ccccc2)[NH+]2CCOCC2)s1 ZINC000177969801 327555827 /nfs/dbraw/zinc/55/58/27/327555827.db2.gz LMBHDETVJMMNET-AEFFLSMTSA-N 1 2 360.479 2.280 10 0 FEAELO C[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)[NH+]1CCOCC1 ZINC000178540817 327591343 /nfs/dbraw/zinc/59/13/43/327591343.db2.gz IBQPWZQBUOKPAO-SECBINFHSA-N 1 2 351.756 2.204 10 0 FEAELO Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000246492290 328621573 /nfs/dbraw/zinc/62/15/73/328621573.db2.gz MIDSVNCHZLMNMS-QAPCUYQASA-N 1 2 366.527 2.261 10 0 FEAELO COc1ccc(C)cc1C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCOCC1 ZINC000263009535 328908174 /nfs/dbraw/zinc/90/81/74/328908174.db2.gz PPKHPVNBFQVIHZ-OAHLLOKOSA-N 1 2 368.424 2.165 10 0 FEAELO CC(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159235758 545933975 /nfs/dbraw/zinc/93/39/75/545933975.db2.gz KJGXBMPRDGIVIE-MRXNPFEDSA-N 1 2 371.441 2.095 10 0 FEAELO CCn1cc[nH+]c1CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000171351463 546205179 /nfs/dbraw/zinc/20/51/79/546205179.db2.gz DVSHYMFRAGOOKX-KRWDZBQOSA-N 1 2 364.352 2.472 10 0 FEAELO COc1ccc([C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000173768221 546286819 /nfs/dbraw/zinc/28/68/19/546286819.db2.gz HUZKTMXBBQVGRT-MJGOQNOKSA-N 1 2 359.470 2.262 10 0 FEAELO CC[C@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000174602100 546300443 /nfs/dbraw/zinc/30/04/43/546300443.db2.gz DNQMQFCBIIEWJP-KGLIPLIRSA-N 1 2 360.483 2.122 10 0 FEAELO CC[C@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)CC[N@H+]1C[C@@H](C)O ZINC000174602100 546300447 /nfs/dbraw/zinc/30/04/47/546300447.db2.gz DNQMQFCBIIEWJP-KGLIPLIRSA-N 1 2 360.483 2.122 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176010755 546390512 /nfs/dbraw/zinc/39/05/12/546390512.db2.gz XJTYZYFPUWFYQQ-UHFFFAOYSA-N 1 2 367.247 2.124 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3occc3Br)CC2)cn1 ZINC000176010755 546390514 /nfs/dbraw/zinc/39/05/14/546390514.db2.gz XJTYZYFPUWFYQQ-UHFFFAOYSA-N 1 2 367.247 2.124 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC[C@@H]1CCOC1 ZINC000176224788 546421349 /nfs/dbraw/zinc/42/13/49/546421349.db2.gz ANZHOAIXMDBLBF-CVEARBPZSA-N 1 2 352.500 2.397 10 0 FEAELO CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176493004 546453649 /nfs/dbraw/zinc/45/36/49/546453649.db2.gz MGCILDRRUSIAML-HOCLYGCPSA-N 1 2 352.862 2.431 10 0 FEAELO COc1cccc(CNC(=O)[C@@H](C)[S@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000176878843 546500422 /nfs/dbraw/zinc/50/04/22/546500422.db2.gz PLURJYKKJAFJSN-DLUDVSRJSA-N 1 2 363.483 2.426 10 0 FEAELO Cc1ccc(CNC(=O)C[S@](=O)Cc2[nH+]ccn2C(C)C)cc1F ZINC000176893992 546503044 /nfs/dbraw/zinc/50/30/44/546503044.db2.gz KKFHJZDJRROYNU-XMMPIXPASA-N 1 2 351.447 2.477 10 0 FEAELO CCOc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2CC)cc1 ZINC000176907558 546505820 /nfs/dbraw/zinc/50/58/20/546505820.db2.gz WIPZISVAXDXYMG-CYBMUJFWSA-N 1 2 365.455 2.244 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N(Cc1ccccc1)C(C)C ZINC000176906705 546506174 /nfs/dbraw/zinc/50/61/74/546506174.db2.gz LLCMGMFFBYUVED-UHFFFAOYSA-N 1 2 363.483 2.255 10 0 FEAELO CCc1oc(C(=O)OC)cc1CN1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000177134918 546552543 /nfs/dbraw/zinc/55/25/43/546552543.db2.gz DBFYOYCYVCBCGR-UHFFFAOYSA-N 1 2 374.485 2.297 10 0 FEAELO CCc1oc(C(=O)OC)cc1C[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000177134918 546552546 /nfs/dbraw/zinc/55/25/46/546552546.db2.gz DBFYOYCYVCBCGR-UHFFFAOYSA-N 1 2 374.485 2.297 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCCc2csc(C)n2)nc[nH+]1 ZINC000177575973 546646427 /nfs/dbraw/zinc/64/64/27/546646427.db2.gz MCJNXKIMKLEAPJ-OAHLLOKOSA-N 1 2 374.514 2.391 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCCc2csc(C)n2)[nH+]cn1 ZINC000177575973 546646431 /nfs/dbraw/zinc/64/64/31/546646431.db2.gz MCJNXKIMKLEAPJ-OAHLLOKOSA-N 1 2 374.514 2.391 10 0 FEAELO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1Cl)[NH+]1CCOCC1 ZINC000178540804 546809416 /nfs/dbraw/zinc/80/94/16/546809416.db2.gz IBQPWZQBUOKPAO-VIFPVBQESA-N 1 2 351.756 2.204 10 0 FEAELO O=C(c1ccnc(OC2CCCCC2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000179973244 547034365 /nfs/dbraw/zinc/03/43/65/547034365.db2.gz SDMJWAHFERYSEI-QGZVFWFLSA-N 1 2 359.470 2.340 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180324676 547085041 /nfs/dbraw/zinc/08/50/41/547085041.db2.gz PNQNGLQAUBHSQZ-QAPCUYQASA-N 1 2 374.481 2.435 10 0 FEAELO CCc1nn(C)cc1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000180361616 547091710 /nfs/dbraw/zinc/09/17/10/547091710.db2.gz XSVSWKRWLTWWRO-INIZCTEOSA-N 1 2 362.499 2.190 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cnn(CC(C)C)c3)CC2)cn1 ZINC000180987650 547225845 /nfs/dbraw/zinc/22/58/45/547225845.db2.gz CRYPNRGCTHHUER-UHFFFAOYSA-N 1 2 358.490 2.104 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cnn(CC(C)C)c3)CC2)cn1 ZINC000180987650 547225852 /nfs/dbraw/zinc/22/58/52/547225852.db2.gz CRYPNRGCTHHUER-UHFFFAOYSA-N 1 2 358.490 2.104 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCOCC2)[NH+]2CCOCC2)s1 ZINC000181689845 547361363 /nfs/dbraw/zinc/36/13/63/547361363.db2.gz KPFTWZJXMYRSTA-CVEARBPZSA-N 1 2 367.515 2.298 10 0 FEAELO O=S(=O)(/C=C/c1cccc(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184171451 547779856 /nfs/dbraw/zinc/77/98/56/547779856.db2.gz QUYHWKHFGBVALK-WQRDJFRPSA-N 1 2 356.875 2.047 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000184455034 547830314 /nfs/dbraw/zinc/83/03/14/547830314.db2.gz WXNCRQBDLQTLBX-CVEARBPZSA-N 1 2 350.459 2.080 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000184455034 547830319 /nfs/dbraw/zinc/83/03/19/547830319.db2.gz WXNCRQBDLQTLBX-CVEARBPZSA-N 1 2 350.459 2.080 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000184491377 547835151 /nfs/dbraw/zinc/83/51/51/547835151.db2.gz IOZFTQUDFJDYLK-LJQANCHMSA-N 1 2 369.465 2.336 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000184491377 547835154 /nfs/dbraw/zinc/83/51/54/547835154.db2.gz IOZFTQUDFJDYLK-LJQANCHMSA-N 1 2 369.465 2.336 10 0 FEAELO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3C[C@H](O)C[C@@H]3CO)cc2)c1 ZINC000185176803 547947011 /nfs/dbraw/zinc/94/70/11/547947011.db2.gz QEZZFROTVMHAAL-IAGOWNOFSA-N 1 2 356.422 2.153 10 0 FEAELO Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3C[C@H](O)C[C@@H]3CO)cc2)c1 ZINC000185176803 547947013 /nfs/dbraw/zinc/94/70/13/547947013.db2.gz QEZZFROTVMHAAL-IAGOWNOFSA-N 1 2 356.422 2.153 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(SC)CCC2)nc[nH+]1 ZINC000195000053 548562935 /nfs/dbraw/zinc/56/29/35/548562935.db2.gz BUTODOXZNQDSFV-ZDUSSCGKSA-N 1 2 364.519 2.072 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCC2(SC)CCC2)[nH+]cn1 ZINC000195000053 548562937 /nfs/dbraw/zinc/56/29/37/548562937.db2.gz BUTODOXZNQDSFV-ZDUSSCGKSA-N 1 2 364.519 2.072 10 0 FEAELO COc1cccc(C2CCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000195008417 548563639 /nfs/dbraw/zinc/56/36/39/548563639.db2.gz ZZULNXXJZSIUKT-MRXNPFEDSA-N 1 2 361.486 2.305 10 0 FEAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000195505292 548652329 /nfs/dbraw/zinc/65/23/29/548652329.db2.gz GNVXNBHJZPZYFE-UHFFFAOYSA-N 1 2 367.453 2.120 10 0 FEAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NCCOc1ccc(Cl)cc1 ZINC000195505851 548652487 /nfs/dbraw/zinc/65/24/87/548652487.db2.gz NRFFKQZSCGAGTN-UHFFFAOYSA-N 1 2 362.861 2.438 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000245202550 548901093 /nfs/dbraw/zinc/90/10/93/548901093.db2.gz ZWXUKIGDMAPRJM-HZPDHXFCSA-N 1 2 361.486 2.253 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccccc2OC)C1 ZINC000245202550 548901096 /nfs/dbraw/zinc/90/10/96/548901096.db2.gz ZWXUKIGDMAPRJM-HZPDHXFCSA-N 1 2 361.486 2.253 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)C[C@H]1C ZINC000245452016 548924284 /nfs/dbraw/zinc/92/42/84/548924284.db2.gz DBKUXYDANCWFJN-LSDHHAIUSA-N 1 2 350.434 2.214 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C[C@H](C)C(=O)c2cccc(F)c2)C[C@H]1C ZINC000245452016 548924285 /nfs/dbraw/zinc/92/42/85/548924285.db2.gz DBKUXYDANCWFJN-LSDHHAIUSA-N 1 2 350.434 2.214 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NC[C@@]2(C)CCCO2)c2cccs2)CCO1 ZINC000246245428 549087507 /nfs/dbraw/zinc/08/75/07/549087507.db2.gz OSGSUEWIBLMVMB-RVKKMQEKSA-N 1 2 367.515 2.378 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NC[C@@]2(C)CCCO2)c2cccs2)CCO1 ZINC000246245428 549087511 /nfs/dbraw/zinc/08/75/11/549087511.db2.gz OSGSUEWIBLMVMB-RVKKMQEKSA-N 1 2 367.515 2.378 10 0 FEAELO O[C@H](COCc1ccccc1F)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246339086 549109034 /nfs/dbraw/zinc/10/90/34/549109034.db2.gz LETITTIGOHNEQO-GOEBONIOSA-N 1 2 352.431 2.233 10 0 FEAELO O[C@H](COCc1ccccc1F)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246339086 549109039 /nfs/dbraw/zinc/10/90/39/549109039.db2.gz LETITTIGOHNEQO-GOEBONIOSA-N 1 2 352.431 2.233 10 0 FEAELO C[C@@H]1CN(Cc2nc(CCc3ccccc3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000246402919 549125887 /nfs/dbraw/zinc/12/58/87/549125887.db2.gz JMQCQNRHZSKZLC-SJLPKXTDSA-N 1 2 356.470 2.007 10 0 FEAELO C[C@@H]1C[N@H+](Cc2nc(CCc3ccccc3)no2)C[C@H]1N1CCOCC1 ZINC000246402919 549125892 /nfs/dbraw/zinc/12/58/92/549125892.db2.gz JMQCQNRHZSKZLC-SJLPKXTDSA-N 1 2 356.470 2.007 10 0 FEAELO C[C@@H]1C[N@@H+](Cc2nc(CCc3ccccc3)no2)C[C@H]1N1CCOCC1 ZINC000246402919 549125895 /nfs/dbraw/zinc/12/58/95/549125895.db2.gz JMQCQNRHZSKZLC-SJLPKXTDSA-N 1 2 356.470 2.007 10 0 FEAELO Cc1cc(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)on1 ZINC000246707021 549193086 /nfs/dbraw/zinc/19/30/86/549193086.db2.gz FLYVBBWGZRXSHI-ZFWWWQNUSA-N 1 2 364.471 2.306 10 0 FEAELO Cc1cc(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)on1 ZINC000246707021 549193089 /nfs/dbraw/zinc/19/30/89/549193089.db2.gz FLYVBBWGZRXSHI-ZFWWWQNUSA-N 1 2 364.471 2.306 10 0 FEAELO CC[C@H]1CN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC[N@@H+]1CCOC ZINC000246940893 549247181 /nfs/dbraw/zinc/24/71/81/549247181.db2.gz BAKMMLWJCRATAA-WBVHZDCISA-N 1 2 363.502 2.448 10 0 FEAELO CC[C@H]1CN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC[N@H+]1CCOC ZINC000246940893 549247186 /nfs/dbraw/zinc/24/71/86/549247186.db2.gz BAKMMLWJCRATAA-WBVHZDCISA-N 1 2 363.502 2.448 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)CCO2)c1 ZINC000247588650 549363738 /nfs/dbraw/zinc/36/37/38/549363738.db2.gz JIHQVUGCOPQRDD-AOIWGVFYSA-N 1 2 368.481 2.259 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)CCO2)c1 ZINC000247588650 549363743 /nfs/dbraw/zinc/36/37/43/549363743.db2.gz JIHQVUGCOPQRDD-AOIWGVFYSA-N 1 2 368.481 2.259 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)C2CCC(O)CC2)c2cccs2)CCO1 ZINC000248732334 549492737 /nfs/dbraw/zinc/49/27/37/549492737.db2.gz JTQTVLGQKOHANT-PRLABOORSA-N 1 2 352.500 2.177 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)C2CCC(O)CC2)c2cccs2)CCO1 ZINC000248732334 549492740 /nfs/dbraw/zinc/49/27/40/549492740.db2.gz JTQTVLGQKOHANT-PRLABOORSA-N 1 2 352.500 2.177 10 0 FEAELO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000249684584 549615205 /nfs/dbraw/zinc/61/52/05/549615205.db2.gz KWEANGRAXCMKGA-SJLPKXTDSA-N 1 2 361.486 2.253 10 0 FEAELO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000249684584 549615207 /nfs/dbraw/zinc/61/52/07/549615207.db2.gz KWEANGRAXCMKGA-SJLPKXTDSA-N 1 2 361.486 2.253 10 0 FEAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCN(c2ccccc2F)CC1 ZINC000249735344 549621023 /nfs/dbraw/zinc/62/10/23/549621023.db2.gz DOEPRYBLALVAQF-MOPGFXCFSA-N 1 2 361.461 2.118 10 0 FEAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)N1CCN(c2ccccc2F)CC1 ZINC000249735344 549621026 /nfs/dbraw/zinc/62/10/26/549621026.db2.gz DOEPRYBLALVAQF-MOPGFXCFSA-N 1 2 361.461 2.118 10 0 FEAELO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000252734064 549678331 /nfs/dbraw/zinc/67/83/31/549678331.db2.gz SBXUFXVBNLSIME-KKUMJFAQSA-N 1 2 366.889 2.462 10 0 FEAELO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000252734064 549678333 /nfs/dbraw/zinc/67/83/33/549678333.db2.gz SBXUFXVBNLSIME-KKUMJFAQSA-N 1 2 366.889 2.462 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000262948887 549865618 /nfs/dbraw/zinc/86/56/18/549865618.db2.gz JIXLGMDHMNAOIF-CQSZACIVSA-N 1 2 361.795 2.121 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000263524721 549907236 /nfs/dbraw/zinc/90/72/36/549907236.db2.gz SSNFMVAISMISNP-UHFFFAOYSA-N 1 2 350.850 2.254 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000263524721 549907238 /nfs/dbraw/zinc/90/72/38/549907238.db2.gz SSNFMVAISMISNP-UHFFFAOYSA-N 1 2 350.850 2.254 10 0 FEAELO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301581591 553663324 /nfs/dbraw/zinc/66/33/24/553663324.db2.gz UVICOWMDZFALPT-IMQLEOSTSA-N 1 2 366.531 2.177 10 0 FEAELO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301581591 553663327 /nfs/dbraw/zinc/66/33/27/553663327.db2.gz UVICOWMDZFALPT-IMQLEOSTSA-N 1 2 366.531 2.177 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@@H]1CCOC2(CCCCC2)C1 ZINC000301693075 553672232 /nfs/dbraw/zinc/67/22/32/553672232.db2.gz LKEBEOHRGCIOKP-CYBMUJFWSA-N 1 2 359.430 2.293 10 0 FEAELO CNc1nc(N2CCC([C@H](C)NC(C)=O)CC2)[nH+]cc1Br ZINC000302554360 553721098 /nfs/dbraw/zinc/72/10/98/553721098.db2.gz RFIJKYGDXURUHG-VIFPVBQESA-N 1 2 356.268 2.022 10 0 FEAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCc2ccc(Cl)s2)CCN1C ZINC000372528605 557493899 /nfs/dbraw/zinc/49/38/99/557493899.db2.gz AIERQZOHGSUXGH-GFCCVEGCSA-N 1 2 353.879 2.333 10 0 FEAELO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cc3ccccc3o2)CCC(=O)N1C ZINC000583619191 570808851 /nfs/dbraw/zinc/80/88/51/570808851.db2.gz QWKABPMXDTYYKA-FZKQIMNGSA-N 1 2 352.394 2.258 10 0 FEAELO Cc1ccc2ncc(C(=O)N3CCCC[C@H]3c3nnc(C[NH+](C)C)o3)n2c1 ZINC000583622146 570811357 /nfs/dbraw/zinc/81/13/57/570811357.db2.gz SHTJBZNWSFQDTQ-AWEZNQCLSA-N 1 2 368.441 2.455 10 0 FEAELO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)c(F)c1 ZINC000052815361 670318160 /nfs/dbraw/zinc/31/81/60/670318160.db2.gz WTWLLTOFLLKMQR-MRXNPFEDSA-N 1 2 352.450 2.326 10 0 FEAELO O=S(=O)(c1c(Cl)nc2ccccn21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173730569 672354235 /nfs/dbraw/zinc/35/42/35/672354235.db2.gz QKKOFMWGBVEIEP-LBPRGKRZSA-N 1 2 365.846 2.038 10 0 FEAELO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1c(Cl)ccc(F)c1Cl ZINC000179539244 672402911 /nfs/dbraw/zinc/40/29/11/672402911.db2.gz WLQOPQBRKNNXTR-MRVPVSSYSA-N 1 2 360.216 2.381 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cn3nc(C(F)F)n(C)c3=S)CC2)s1 ZINC000181364555 672425803 /nfs/dbraw/zinc/42/58/03/672425803.db2.gz CTUXIWUDRMTSBF-UHFFFAOYSA-N 1 2 374.486 2.429 10 0 FEAELO COCCn1c(C(=O)N2CC[NH+](C)CC2)cc2oc(Br)cc21 ZINC000223714708 672793992 /nfs/dbraw/zinc/79/39/92/672793992.db2.gz MDQCMYHNGQUVOU-UHFFFAOYSA-N 1 2 370.247 2.031 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000245421939 672818347 /nfs/dbraw/zinc/81/83/47/672818347.db2.gz OOYQXNPGUKYSHC-XETPBLJFSA-N 1 2 356.463 2.169 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)/C=C/c2ccc(F)cc2)C[C@H]1C ZINC000245421939 672818349 /nfs/dbraw/zinc/81/83/49/672818349.db2.gz OOYQXNPGUKYSHC-XETPBLJFSA-N 1 2 356.463 2.169 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000247855806 672853002 /nfs/dbraw/zinc/85/30/02/672853002.db2.gz XZUIRJGACHZJMV-RLCCDNCMSA-N 1 2 373.280 2.206 10 0 FEAELO CC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000027926309 539819667 /nfs/dbraw/zinc/81/96/67/539819667.db2.gz ULRAWHBZRWGISF-HZPDHXFCSA-N 1 2 351.878 2.460 10 0 FEAELO CC[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1 ZINC000027926309 539819670 /nfs/dbraw/zinc/81/96/70/539819670.db2.gz ULRAWHBZRWGISF-HZPDHXFCSA-N 1 2 351.878 2.460 10 0 FEAELO C[C@@H](CNC(=O)C1(c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC000029962855 539870636 /nfs/dbraw/zinc/87/06/36/539870636.db2.gz WQTIKZCKPKJJAD-ZDUSSCGKSA-N 1 2 367.287 2.318 10 0 FEAELO C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000055234007 540639000 /nfs/dbraw/zinc/63/90/00/540639000.db2.gz CIYWNLDPPNQUTF-AWEZNQCLSA-N 1 2 351.410 2.203 10 0 FEAELO C[C@@H](CNC(=O)N(C)CCCOc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000056863640 540750788 /nfs/dbraw/zinc/75/07/88/540750788.db2.gz NLRFEDUEUNFUIK-HNNXBMFYSA-N 1 2 369.893 2.471 10 0 FEAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000066156111 541285161 /nfs/dbraw/zinc/28/51/61/541285161.db2.gz MEAGTJHJRHCQIR-CQSZACIVSA-N 1 2 372.868 2.413 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000073105659 541918589 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FEAELO COCCO[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000189043373 328125506 /nfs/dbraw/zinc/12/55/06/328125506.db2.gz MHEJAOLJZVKLHB-CRAIPNDOSA-N 1 2 358.442 2.380 10 0 FEAELO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000189133972 328130419 /nfs/dbraw/zinc/13/04/19/328130419.db2.gz UNHMNQGLCIKJMJ-HNNXBMFYSA-N 1 2 356.478 2.242 10 0 FEAELO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000189133972 328130420 /nfs/dbraw/zinc/13/04/20/328130420.db2.gz UNHMNQGLCIKJMJ-HNNXBMFYSA-N 1 2 356.478 2.242 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)[nH]n2)c(C)c1 ZINC000189197040 328134301 /nfs/dbraw/zinc/13/43/01/328134301.db2.gz ZYUHFMGTQZHOSZ-MRXNPFEDSA-N 1 2 354.454 2.240 10 0 FEAELO Cc1ccc(-n2cc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cn2)c(C)c1 ZINC000189609291 328158012 /nfs/dbraw/zinc/15/80/12/328158012.db2.gz OATWPPOTIQVKOY-GOSISDBHSA-N 1 2 369.469 2.428 10 0 FEAELO CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000190767341 328231385 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COC(=O)c1ccc(CN2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)o1 ZINC000191981636 328291651 /nfs/dbraw/zinc/29/16/51/328291651.db2.gz ODHMTUANJXEAQO-UHFFFAOYSA-N 1 2 366.458 2.304 10 0 FEAELO COC(=O)c1ccc(CN2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)o1 ZINC000191981636 328291652 /nfs/dbraw/zinc/29/16/52/328291652.db2.gz ODHMTUANJXEAQO-UHFFFAOYSA-N 1 2 366.458 2.304 10 0 FEAELO C[C@H]1COCC[C@@H]1C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000192580903 328326975 /nfs/dbraw/zinc/32/69/75/328326975.db2.gz JRWZYZKALDOSAR-PXNSSMCTSA-N 1 2 368.481 2.189 10 0 FEAELO CSc1nccn1-c1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000044498276 324561185 /nfs/dbraw/zinc/56/11/85/324561185.db2.gz LEQLWVROABOHMR-CQSZACIVSA-N 1 2 360.483 2.045 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1nc(Cc2ccccc2C)no1 ZINC000079938592 325110729 /nfs/dbraw/zinc/11/07/29/325110729.db2.gz UKZUMKBSJQSVMB-UHFFFAOYSA-N 1 2 360.439 2.300 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000083066803 325212692 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COCc1cccc(CNC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106372427 325595616 /nfs/dbraw/zinc/59/56/16/325595616.db2.gz YGOHCCATTXITMK-UHFFFAOYSA-N 1 2 370.497 2.364 10 0 FEAELO COC(=O)c1cccc(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106372097 325595841 /nfs/dbraw/zinc/59/58/41/325595841.db2.gz RPDYQQSLKLZGCW-UHFFFAOYSA-N 1 2 370.453 2.327 10 0 FEAELO Cc1nc(C[C@H]2CCCN(C(=O)NCc3cn4c(cccc4C)[nH+]3)C2)no1 ZINC000109405350 325667115 /nfs/dbraw/zinc/66/71/15/325667115.db2.gz CZPMUPKUUQONSS-OAHLLOKOSA-N 1 2 368.441 2.498 10 0 FEAELO Cc1c(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cnn1CC(C)C ZINC000119637742 326183440 /nfs/dbraw/zinc/18/34/40/326183440.db2.gz LAFMRPPNPDUTRQ-FQEVSTJZSA-N 1 2 370.497 2.339 10 0 FEAELO COC[C@H](NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000120096044 326229764 /nfs/dbraw/zinc/22/97/64/326229764.db2.gz WBGFIDWSIXTXJB-JKSUJKDBSA-N 1 2 367.515 2.188 10 0 FEAELO CC(C)Cn1ccc2cc(NC(=O)NC[C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000120407344 326256106 /nfs/dbraw/zinc/25/61/06/326256106.db2.gz BLAAQFJAHUABAD-SFHVURJKSA-N 1 2 374.485 2.112 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cc3cnc4nc(C)cc(C)n34)CC2)s1 ZINC000120442113 326259052 /nfs/dbraw/zinc/25/90/52/326259052.db2.gz YDUJJADBGBONLH-UHFFFAOYSA-N 1 2 356.499 2.429 10 0 FEAELO CCOC(=O)C[C@@H](C)CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000120774273 326287305 /nfs/dbraw/zinc/28/73/05/326287305.db2.gz DTKJDMFTSSMRPS-CYBMUJFWSA-N 1 2 350.463 2.201 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H](CCO)CC(C)C)CC2)s1 ZINC000120810232 326289946 /nfs/dbraw/zinc/28/99/46/326289946.db2.gz ADLZXDXGXRNXHJ-INIZCTEOSA-N 1 2 368.547 2.323 10 0 FEAELO COc1cc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)cc2c1OCCO2 ZINC000121270749 326326314 /nfs/dbraw/zinc/32/63/14/326326314.db2.gz KYWNJRRUYZJXFL-ZDUSSCGKSA-N 1 2 374.441 2.037 10 0 FEAELO O=C(Nc1cc(F)ccc1OC(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000121693144 326358558 /nfs/dbraw/zinc/35/85/58/326358558.db2.gz XOKPAMUXEJVESB-GFCCVEGCSA-N 1 2 359.348 2.366 10 0 FEAELO COCOc1ccc(OC)cc1C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000122474125 326398271 /nfs/dbraw/zinc/39/82/71/326398271.db2.gz SHMOXSDYSRVTDR-SFHVURJKSA-N 1 2 361.442 2.084 10 0 FEAELO COCOc1ccc(OC)cc1C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000122474125 326398273 /nfs/dbraw/zinc/39/82/73/326398273.db2.gz SHMOXSDYSRVTDR-SFHVURJKSA-N 1 2 361.442 2.084 10 0 FEAELO COc1ccccc1[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000132729587 326597195 /nfs/dbraw/zinc/59/71/95/326597195.db2.gz OHDBLVFCGWAFGR-KXBFYZLASA-N 1 2 373.453 2.398 10 0 FEAELO C[C@H](Sc1ccccn1)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000152299445 326703802 /nfs/dbraw/zinc/70/38/02/326703802.db2.gz YRNGTDKGVSEFEX-WMZOPIPTSA-N 1 2 371.506 2.440 10 0 FEAELO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152690832 326714097 /nfs/dbraw/zinc/71/40/97/326714097.db2.gz JYTLRKPQTFHZCR-GJZGRUSLSA-N 1 2 360.458 2.034 10 0 FEAELO O=C(Cc1cccc(OCC(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000154035744 326749701 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Cc1cccc(-n2ccnc2SCC(=O)NC[C@H]2C[N@H+](C)CCO2)c1C ZINC000171288289 327129697 /nfs/dbraw/zinc/12/96/97/327129697.db2.gz CPDQGDSCCNBZBD-INIZCTEOSA-N 1 2 374.510 2.028 10 0 FEAELO Cc1cccc(-n2ccnc2SCC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1C ZINC000171288289 327129698 /nfs/dbraw/zinc/12/96/98/327129698.db2.gz CPDQGDSCCNBZBD-INIZCTEOSA-N 1 2 374.510 2.028 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000171344523 327133509 /nfs/dbraw/zinc/13/35/09/327133509.db2.gz LHSNWZAFITYXNC-INIZCTEOSA-N 1 2 362.499 2.341 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1 ZINC000171344523 327133511 /nfs/dbraw/zinc/13/35/11/327133511.db2.gz LHSNWZAFITYXNC-INIZCTEOSA-N 1 2 362.499 2.341 10 0 FEAELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c(OC)c1 ZINC000171407342 327137743 /nfs/dbraw/zinc/13/77/43/327137743.db2.gz TXQFRLRHSNXJDT-AWEZNQCLSA-N 1 2 374.441 2.288 10 0 FEAELO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c(OC)c1 ZINC000171407342 327137744 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10 0 FEAELO Cc1c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)nnn1-c1ccc(C)cc1 ZINC000177739013 546676764 /nfs/dbraw/zinc/67/67/64/546676764.db2.gz ANVZMNOWBFWFHU-QGZVFWFLSA-N 1 2 350.426 2.385 10 0 FEAELO O=C(CN1C(=O)CSc2ccccc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177791496 546687992 /nfs/dbraw/zinc/68/79/92/546687992.db2.gz MSQZCXLIZBGKFL-CQSZACIVSA-N 1 2 356.451 2.013 10 0 FEAELO COCCCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000178546542 546811007 /nfs/dbraw/zinc/81/10/07/546811007.db2.gz XYCZUQWQTBGIRQ-CABCVRRESA-N 1 2 355.504 2.236 10 0 FEAELO COCCCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000178546542 546811011 /nfs/dbraw/zinc/81/10/11/546811011.db2.gz XYCZUQWQTBGIRQ-CABCVRRESA-N 1 2 355.504 2.236 10 0 FEAELO CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000178661997 546828492 /nfs/dbraw/zinc/82/84/92/546828492.db2.gz VITNDZOYJXOTDX-KURKYZTESA-N 1 2 367.534 2.476 10 0 FEAELO CCCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000178661997 546828496 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553669584 /nfs/dbraw/zinc/66/95/84/553669584.db2.gz SOVCHTNAURZXSY-RBUKOAKNSA-N 1 2 367.449 2.348 10 0 FEAELO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1=NS(=O)(=O)c2ccccc21 ZINC000302164871 553708278 /nfs/dbraw/zinc/70/82/78/553708278.db2.gz JADNZLRMLAXJKE-RHSMWYFYSA-N 1 2 355.463 2.246 10 0 FEAELO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1=NS(=O)(=O)c2ccccc21 ZINC000302164871 553708279 /nfs/dbraw/zinc/70/82/79/553708279.db2.gz JADNZLRMLAXJKE-RHSMWYFYSA-N 1 2 355.463 2.246 10 0 FEAELO Cc1noc(CCC(=O)N2CCC[C@@H](Nc3ccc(N(C)C)[nH+]c3)CC2)n1 ZINC000328628014 553799240 /nfs/dbraw/zinc/79/92/40/553799240.db2.gz GUACIEWJBRQTAW-OAHLLOKOSA-N 1 2 372.473 2.265 10 0 FEAELO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)no1 ZINC000053944341 670330526 /nfs/dbraw/zinc/33/05/26/670330526.db2.gz FZGKRJSHURULSI-OAHLLOKOSA-N 1 2 367.833 2.084 10 0 FEAELO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)no1 ZINC000053944341 670330531 /nfs/dbraw/zinc/33/05/31/670330531.db2.gz FZGKRJSHURULSI-OAHLLOKOSA-N 1 2 367.833 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Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000180484713 327687599 /nfs/dbraw/zinc/68/75/99/327687599.db2.gz NVVUUJIGSRVUGH-KUHUBIRLSA-N 1 2 372.444 2.113 10 0 FEAELO Cc1cc(F)ccc1-n1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000180702601 327698093 /nfs/dbraw/zinc/69/80/93/327698093.db2.gz VEIMQPHGGUJBBU-HNAYVOBHSA-N 1 2 372.444 2.113 10 0 FEAELO O=C(Cc1ccoc1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000186483495 327964098 /nfs/dbraw/zinc/96/40/98/327964098.db2.gz TYHLZTLUTLALSW-UHFFFAOYSA-N 1 2 350.422 2.352 10 0 FEAELO O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000187214780 328009347 /nfs/dbraw/zinc/00/93/47/328009347.db2.gz XTYDSVXLVRMGSJ-HZPDHXFCSA-N 1 2 371.403 2.449 10 0 FEAELO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187569881 328033848 /nfs/dbraw/zinc/03/38/48/328033848.db2.gz UGZMDOZPOPDNFH-HOTGVXAUSA-N 1 2 354.435 2.177 10 0 FEAELO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(OCC2CC2)c1 ZINC000188509684 328091773 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CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000189336868 328141638 /nfs/dbraw/zinc/14/16/38/328141638.db2.gz WSCYHFRFPBODKY-VNHYZAJKSA-N 1 2 367.833 2.233 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(O)ccc2C(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000189452687 328149218 /nfs/dbraw/zinc/14/92/18/328149218.db2.gz FSAGSCDMRYPDGG-XHDPSFHLSA-N 1 2 358.360 2.204 10 0 FEAELO CCCCOc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(O)c1 ZINC000190521368 328213552 /nfs/dbraw/zinc/21/35/52/328213552.db2.gz ASVOHKLVDLVCMV-MAUKXSAKSA-N 1 2 362.470 2.364 10 0 FEAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@H]1CCCn2ncnc21 ZINC000190697537 328225417 /nfs/dbraw/zinc/22/54/17/328225417.db2.gz OSJBDAWYAQALQG-INIZCTEOSA-N 1 2 374.876 2.124 10 0 FEAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@H]1CCCn2ncnc21 ZINC000190697537 328225419 /nfs/dbraw/zinc/22/54/19/328225419.db2.gz OSJBDAWYAQALQG-INIZCTEOSA-N 1 2 374.876 2.124 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](CCOc3ccccc3C(=O)OC)CCO2)cn1 ZINC000190832007 328234925 /nfs/dbraw/zinc/23/49/25/328234925.db2.gz SNLCXNGYRIHYLZ-SFHVURJKSA-N 1 2 359.426 2.142 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](CCOc3ccccc3C(=O)OC)CCO2)cn1 ZINC000190832007 328234926 /nfs/dbraw/zinc/23/49/26/328234926.db2.gz SNLCXNGYRIHYLZ-SFHVURJKSA-N 1 2 359.426 2.142 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccncc3)CCO2)cn1 ZINC000191715722 328278512 /nfs/dbraw/zinc/27/85/12/328278512.db2.gz FHHOIGXWVJOBPF-SFHVURJKSA-N 1 2 352.442 2.272 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccncc3)CCO2)cn1 ZINC000191715722 328278513 /nfs/dbraw/zinc/27/85/13/328278513.db2.gz FHHOIGXWVJOBPF-SFHVURJKSA-N 1 2 352.442 2.272 10 0 FEAELO COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000191916930 328288565 /nfs/dbraw/zinc/28/85/65/328288565.db2.gz WDOJBEFAQIUVAV-IUODEOHRSA-N 1 2 370.396 2.089 10 0 FEAELO CCC(CC)NC(=O)[C@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979513 328291570 /nfs/dbraw/zinc/29/15/70/328291570.db2.gz UXFYIUMKUNOLDN-HNNXBMFYSA-N 1 2 369.550 2.418 10 0 FEAELO CCC(CC)NC(=O)[C@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979513 328291571 /nfs/dbraw/zinc/29/15/71/328291571.db2.gz UXFYIUMKUNOLDN-HNNXBMFYSA-N 1 2 369.550 2.418 10 0 FEAELO Cc1nc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)sc1C ZINC000193280339 328366816 /nfs/dbraw/zinc/36/68/16/328366816.db2.gz NXUTWHBOVMLFTD-UHFFFAOYSA-N 1 2 361.471 2.140 10 0 FEAELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000193938633 328402991 /nfs/dbraw/zinc/40/29/91/328402991.db2.gz IJLGYSFHEITLIY-KRWDZBQOSA-N 1 2 362.389 2.451 10 0 FEAELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000193938615 328403087 /nfs/dbraw/zinc/40/30/87/328403087.db2.gz IJLGYSFHEITLIY-QGZVFWFLSA-N 1 2 362.389 2.451 10 0 FEAELO CC(C)n1cc(Br)cc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000079505834 325094221 /nfs/dbraw/zinc/09/42/21/325094221.db2.gz FUSMJWKVRWUEAE-GFCCVEGCSA-N 1 2 358.280 2.282 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000083066801 325212653 /nfs/dbraw/zinc/21/26/53/325212653.db2.gz SAOQJPFZJRDKQF-OAHLLOKOSA-N 1 2 363.483 2.173 10 0 FEAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000083694846 325221842 /nfs/dbraw/zinc/22/18/42/325221842.db2.gz JLQFADQPJAPKDY-INIZCTEOSA-N 1 2 367.457 2.469 10 0 FEAELO c1nc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)oc1-c1ccccc1 ZINC000106093301 325579241 /nfs/dbraw/zinc/57/92/41/325579241.db2.gz YYIVKZRIHAUERH-UHFFFAOYSA-N 1 2 361.409 2.102 10 0 FEAELO CC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000106091118 325579316 /nfs/dbraw/zinc/57/93/16/325579316.db2.gz DTTLDGIBFPPFPV-UHFFFAOYSA-N 1 2 372.494 2.410 10 0 FEAELO CCOc1ccccc1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000107075311 325619338 /nfs/dbraw/zinc/61/93/38/325619338.db2.gz ILZWKVURRGQTBM-UHFFFAOYSA-N 1 2 365.455 2.416 10 0 FEAELO C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245658508 328564402 /nfs/dbraw/zinc/56/44/02/328564402.db2.gz CVIWOUAJLBLUHG-NUEKZKHPSA-N 1 2 355.442 2.277 10 0 FEAELO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315977 326005787 /nfs/dbraw/zinc/00/57/87/326005787.db2.gz PSBPFZRNTGWPKT-LBPRGKRZSA-N 1 2 362.455 2.086 10 0 FEAELO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315977 326005789 /nfs/dbraw/zinc/00/57/89/326005789.db2.gz PSBPFZRNTGWPKT-LBPRGKRZSA-N 1 2 362.455 2.086 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC[N@@H+]1CCOC ZINC000117372483 326059579 /nfs/dbraw/zinc/05/95/79/326059579.db2.gz XILAUTWGBJDSDY-CYBMUJFWSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC[N@H+]1CCOC ZINC000117372483 326059581 /nfs/dbraw/zinc/05/95/81/326059581.db2.gz XILAUTWGBJDSDY-CYBMUJFWSA-N 1 2 364.870 2.210 10 0 FEAELO Cc1cnn(CCNC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000118056300 326078115 /nfs/dbraw/zinc/07/81/15/326078115.db2.gz HEACTLSJAIJPQO-MRXNPFEDSA-N 1 2 356.405 2.153 10 0 FEAELO CCOC(=O)C(C)(C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000120069994 326227454 /nfs/dbraw/zinc/22/74/54/326227454.db2.gz FJYOBCJMXGAQLE-AWEZNQCLSA-N 1 2 368.499 2.169 10 0 FEAELO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000120783973 326288038 /nfs/dbraw/zinc/28/80/38/326288038.db2.gz MPOVNLFNLFLWJJ-HNNXBMFYSA-N 1 2 369.462 2.072 10 0 FEAELO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000120783973 326288040 /nfs/dbraw/zinc/28/80/40/326288040.db2.gz MPOVNLFNLFLWJJ-HNNXBMFYSA-N 1 2 369.462 2.072 10 0 FEAELO C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000121369056 326333120 /nfs/dbraw/zinc/33/31/20/326333120.db2.gz CVGGSIPWOGGZHT-SUMWQHHRSA-N 1 2 358.417 2.009 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(F)c(F)c2)nc[nH+]1 ZINC000121386521 326334757 /nfs/dbraw/zinc/33/47/57/326334757.db2.gz JDPKHYCGTSUNOY-ZDUSSCGKSA-N 1 2 361.396 2.124 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2ccc(F)c(F)c2)[nH+]cn1 ZINC000121386521 326334759 /nfs/dbraw/zinc/33/47/59/326334759.db2.gz JDPKHYCGTSUNOY-ZDUSSCGKSA-N 1 2 361.396 2.124 10 0 FEAELO CC(=O)N[C@@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000121628468 326353246 /nfs/dbraw/zinc/35/32/46/326353246.db2.gz OYNUIXHYQPAYJT-OAHLLOKOSA-N 1 2 360.483 2.003 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)s1 ZINC000121959918 326378335 /nfs/dbraw/zinc/37/83/35/326378335.db2.gz KPJOMNJBDPLDQM-BRWVUGGUSA-N 1 2 364.515 2.236 10 0 FEAELO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1-c1cc(C)ccc1C ZINC000124839084 326460908 /nfs/dbraw/zinc/46/09/08/326460908.db2.gz XXZAOBSNSCQYMI-GOSISDBHSA-N 1 2 368.481 2.344 10 0 FEAELO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000132627033 326595647 /nfs/dbraw/zinc/59/56/47/326595647.db2.gz YBLPVJYCNNGACE-KDOFPFPSSA-N 1 2 356.470 2.008 10 0 FEAELO Cn1ccnc1C[C@@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000136966238 326656757 /nfs/dbraw/zinc/65/67/57/326656757.db2.gz MYBBHFBRZNRQLZ-INIZCTEOSA-N 1 2 370.501 2.160 10 0 FEAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(N2CCCC2)c1 ZINC000151333326 326679995 /nfs/dbraw/zinc/67/99/95/326679995.db2.gz IDRNCERLWCVVAZ-FXAWDEMLSA-N 1 2 372.513 2.464 10 0 FEAELO CN(C)c1cccc(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000152733730 326715118 /nfs/dbraw/zinc/71/51/18/326715118.db2.gz QJISDPDPQPDBDY-KRWDZBQOSA-N 1 2 369.469 2.031 10 0 FEAELO Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000153451519 326733332 /nfs/dbraw/zinc/73/33/32/326733332.db2.gz JYOKNAUUSJFYDN-QAPCUYQASA-N 1 2 356.470 2.398 10 0 FEAELO COC(=O)[C@@H](c1ccccc1C)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000162945262 327038592 /nfs/dbraw/zinc/03/85/92/327038592.db2.gz QOVMDYBXISJLCN-HXUWFJFHSA-N 1 2 370.497 2.377 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000170683774 327093663 /nfs/dbraw/zinc/09/36/63/327093663.db2.gz QFYMTRKBXVVGTB-AWEZNQCLSA-N 1 2 355.276 2.174 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2cccc(Br)c2)C1 ZINC000170683774 327093664 /nfs/dbraw/zinc/09/36/64/327093664.db2.gz QFYMTRKBXVVGTB-AWEZNQCLSA-N 1 2 355.276 2.174 10 0 FEAELO Fc1ccc(OCc2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)cc1 ZINC000171527714 327144294 /nfs/dbraw/zinc/14/42/94/327144294.db2.gz DKNSVTQGNYVXEE-CQSZACIVSA-N 1 2 358.377 2.216 10 0 FEAELO Fc1ccc(OCc2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)cc1 ZINC000171527714 327144295 /nfs/dbraw/zinc/14/42/95/327144295.db2.gz DKNSVTQGNYVXEE-CQSZACIVSA-N 1 2 358.377 2.216 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1c2ccccc2C[C@H]1C ZINC000171674273 327154179 /nfs/dbraw/zinc/15/41/79/327154179.db2.gz LLPJWFKPURLRTC-CQSZACIVSA-N 1 2 361.467 2.357 10 0 FEAELO O=C(c1cnc2ccccc2n1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171813566 327163214 /nfs/dbraw/zinc/16/32/14/327163214.db2.gz GWOKGNODBNSSLS-HXUWFJFHSA-N 1 2 362.433 2.121 10 0 FEAELO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172110091 327181299 /nfs/dbraw/zinc/18/12/99/327181299.db2.gz MWQQCBIKGBATNP-HNNXBMFYSA-N 1 2 352.442 2.277 10 0 FEAELO CC(C)[C@@H](C)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000172500761 327204244 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Cn1cc([C@@H]2CC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)cn1 ZINC000158666890 545882486 /nfs/dbraw/zinc/88/24/86/545882486.db2.gz AQNBYYWXIVJDAT-DOMZBBRYSA-N 1 2 363.259 2.199 10 0 FEAELO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000158922349 545905448 /nfs/dbraw/zinc/90/54/48/545905448.db2.gz ZVHHFLQZAMACFA-GUYCJALGSA-N 1 2 359.451 2.438 10 0 FEAELO O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000158922349 545905451 /nfs/dbraw/zinc/90/54/51/545905451.db2.gz ZVHHFLQZAMACFA-GUYCJALGSA-N 1 2 359.451 2.438 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCCc2ccccn2)nc[nH+]1 ZINC000173432930 546281711 /nfs/dbraw/zinc/28/17/11/546281711.db2.gz VWSDGIWNDWPJRZ-INIZCTEOSA-N 1 2 354.458 2.021 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCCc2ccccn2)[nH+]cn1 ZINC000173432930 546281713 /nfs/dbraw/zinc/28/17/13/546281713.db2.gz VWSDGIWNDWPJRZ-INIZCTEOSA-N 1 2 354.458 2.021 10 0 FEAELO CC[C@H](Oc1ccccc1F)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000176049942 546396839 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CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc(NC=O)cc1 ZINC000177968256 546714639 /nfs/dbraw/zinc/71/46/39/546714639.db2.gz OTYKOCIUKLUTCR-KRWDZBQOSA-N 1 2 373.478 2.462 10 0 FEAELO Cn1c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)nnc1C1CC1 ZINC000178050929 546730065 /nfs/dbraw/zinc/73/00/65/546730065.db2.gz WCNFITUMRNDAPU-OAHLLOKOSA-N 1 2 353.470 2.335 10 0 FEAELO Cn1c(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)nnc1C1CC1 ZINC000178050929 546730070 /nfs/dbraw/zinc/73/00/70/546730070.db2.gz WCNFITUMRNDAPU-OAHLLOKOSA-N 1 2 353.470 2.335 10 0 FEAELO CSC[C@H](C)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178710488 546836409 /nfs/dbraw/zinc/83/64/09/546836409.db2.gz MANNDTDTTPACMV-JSGCOSHPSA-N 1 2 357.545 2.481 10 0 FEAELO Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181275319 547283826 /nfs/dbraw/zinc/28/38/26/547283826.db2.gz YVBPXQXHKNOXQQ-MRXNPFEDSA-N 1 2 367.287 2.233 10 0 FEAELO Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](n4cncn4)C3)nn2)cc1Cl ZINC000181304759 547290621 /nfs/dbraw/zinc/29/06/21/547290621.db2.gz DOFWCHURYUXNQU-AWEZNQCLSA-N 1 2 361.812 2.488 10 0 FEAELO Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](n4cncn4)C3)nn2)cc1Cl ZINC000181304759 547290624 /nfs/dbraw/zinc/29/06/24/547290624.db2.gz DOFWCHURYUXNQU-AWEZNQCLSA-N 1 2 361.812 2.488 10 0 FEAELO O=C(CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1)c1ccccc1 ZINC000182241411 547459390 /nfs/dbraw/zinc/45/93/90/547459390.db2.gz WMMNJWVVDLOGGS-HXUWFJFHSA-N 1 2 368.477 2.317 10 0 FEAELO O=C(CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)c1ccccc1 ZINC000182241411 547459394 /nfs/dbraw/zinc/45/93/94/547459394.db2.gz WMMNJWVVDLOGGS-HXUWFJFHSA-N 1 2 368.477 2.317 10 0 FEAELO O[C@H](CCc1ccccc1)CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182340939 547474976 /nfs/dbraw/zinc/47/49/76/547474976.db2.gz OMZFGFFQUGXHKK-YADHBBJMSA-N 1 2 354.494 2.331 10 0 FEAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000182402263 547486248 /nfs/dbraw/zinc/48/62/48/547486248.db2.gz SWLNNLUWZSDDOY-LJQANCHMSA-N 1 2 374.506 2.431 10 0 FEAELO Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000182424251 547491064 /nfs/dbraw/zinc/49/10/64/547491064.db2.gz FVUXRVAGOHPUNG-UHFFFAOYSA-N 1 2 358.490 2.028 10 0 FEAELO Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000182424251 547491066 /nfs/dbraw/zinc/49/10/66/547491066.db2.gz FVUXRVAGOHPUNG-UHFFFAOYSA-N 1 2 358.490 2.028 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000184325999 547808361 /nfs/dbraw/zinc/80/83/61/547808361.db2.gz VIOMBMRRENANHP-LPHOPBHVSA-N 1 2 373.497 2.492 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000184325999 547808367 /nfs/dbraw/zinc/80/83/67/547808367.db2.gz VIOMBMRRENANHP-LPHOPBHVSA-N 1 2 373.497 2.492 10 0 FEAELO C[C@@H](CNC(=O)N1CC[C@H](c2c(F)cccc2F)C1)[NH+]1CCOCC1 ZINC000184397110 547819470 /nfs/dbraw/zinc/81/94/70/547819470.db2.gz UZBVFQVRXKJTJK-KBPBESRZSA-N 1 2 353.413 2.184 10 0 FEAELO CCC(CC)(C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(OC)c(OC)c1 ZINC000184560488 547845283 /nfs/dbraw/zinc/84/52/83/547845283.db2.gz JZYJYBJMHQFDID-INIZCTEOSA-N 1 2 364.486 2.208 10 0 FEAELO CCC(CC)(C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(OC)c(OC)c1 ZINC000184560488 547845287 /nfs/dbraw/zinc/84/52/87/547845287.db2.gz JZYJYBJMHQFDID-INIZCTEOSA-N 1 2 364.486 2.208 10 0 FEAELO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(C)n1CCc1cccs1 ZINC000184725903 547870826 /nfs/dbraw/zinc/87/08/26/547870826.db2.gz HZRFKUJDAIYRFT-CVEARBPZSA-N 1 2 362.495 2.019 10 0 FEAELO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)c(C)n1CCc1cccs1 ZINC000184725903 547870829 /nfs/dbraw/zinc/87/08/29/547870829.db2.gz HZRFKUJDAIYRFT-CVEARBPZSA-N 1 2 362.495 2.019 10 0 FEAELO Cc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000184829944 547884053 /nfs/dbraw/zinc/88/40/53/547884053.db2.gz YESSMXQIFLUUPT-SNVBAGLBSA-N 1 2 360.227 2.349 10 0 FEAELO Cc1cc(Br)c(F)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000184829944 547884058 /nfs/dbraw/zinc/88/40/58/547884058.db2.gz YESSMXQIFLUUPT-SNVBAGLBSA-N 1 2 360.227 2.349 10 0 FEAELO C/C=C/C[C@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000185504862 547993743 /nfs/dbraw/zinc/99/37/43/547993743.db2.gz WZVIEYKRDQGCMJ-OBMMGQTPSA-N 1 2 367.515 2.056 10 0 FEAELO CCO[C@@H]1C[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C12CCOCC2 ZINC000185507902 547994875 /nfs/dbraw/zinc/99/48/75/547994875.db2.gz MGKFVHFWUDZBRN-DLBZAZTESA-N 1 2 372.469 2.150 10 0 FEAELO CCO[C@H]1C[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C12CCOCC2 ZINC000186424771 548132764 /nfs/dbraw/zinc/13/27/64/548132764.db2.gz YTLPRNFRTDIOQD-SJORKVTESA-N 1 2 372.469 2.448 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(O)ccc3OC)CC2)cn1 ZINC000186679746 548173323 /nfs/dbraw/zinc/17/33/23/548173323.db2.gz SXLNYJBGRAEJQA-UHFFFAOYSA-N 1 2 372.469 2.355 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(O)ccc3OC)CC2)cn1 ZINC000186679746 548173326 /nfs/dbraw/zinc/17/33/26/548173326.db2.gz SXLNYJBGRAEJQA-UHFFFAOYSA-N 1 2 372.469 2.355 10 0 FEAELO CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195055199 548569925 /nfs/dbraw/zinc/56/99/25/548569925.db2.gz DGEZLPXWNFBVTG-MRXNPFEDSA-N 1 2 350.484 2.179 10 0 FEAELO CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000195055199 548569929 /nfs/dbraw/zinc/56/99/29/548569929.db2.gz DGEZLPXWNFBVTG-MRXNPFEDSA-N 1 2 350.484 2.179 10 0 FEAELO C[NH+](C)[C@H](C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000195291511 548613741 /nfs/dbraw/zinc/61/37/41/548613741.db2.gz PIDARWXFXDXNPN-AEFFLSMTSA-N 1 2 358.463 2.324 10 0 FEAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000195507223 548651811 /nfs/dbraw/zinc/65/18/11/548651811.db2.gz SHUOOYDKWZYIFV-KRWDZBQOSA-N 1 2 367.497 2.232 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000245199570 548900087 /nfs/dbraw/zinc/90/00/87/548900087.db2.gz IBQOWKNSWNAUEK-GDBMZVCRSA-N 1 2 360.458 2.104 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000245199570 548900091 /nfs/dbraw/zinc/90/00/91/548900091.db2.gz IBQOWKNSWNAUEK-GDBMZVCRSA-N 1 2 360.458 2.104 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000245513759 548937521 /nfs/dbraw/zinc/93/75/21/548937521.db2.gz DNPGWFYOCIBICT-UONOGXRCSA-N 1 2 363.355 2.449 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 ZINC000245513759 548937523 /nfs/dbraw/zinc/93/75/23/548937523.db2.gz DNPGWFYOCIBICT-UONOGXRCSA-N 1 2 363.355 2.449 10 0 FEAELO Cc1ncc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000245555826 548945922 /nfs/dbraw/zinc/94/59/22/548945922.db2.gz CTCWNKOMCQCSDN-LRDDRELGSA-N 1 2 360.483 2.347 10 0 FEAELO Cc1ncc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c(C)n1 ZINC000245555826 548945924 /nfs/dbraw/zinc/94/59/24/548945924.db2.gz CTCWNKOMCQCSDN-LRDDRELGSA-N 1 2 360.483 2.347 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)[nH]1 ZINC000245597990 548954589 /nfs/dbraw/zinc/95/45/89/548954589.db2.gz HZEMHPPRDFVGAZ-QZTJIDSGSA-N 1 2 358.442 2.244 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)[nH]1 ZINC000245597990 548954593 /nfs/dbraw/zinc/95/45/93/548954593.db2.gz HZEMHPPRDFVGAZ-QZTJIDSGSA-N 1 2 358.442 2.244 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1C ZINC000246060436 549043236 /nfs/dbraw/zinc/04/32/36/549043236.db2.gz VYTVXJBQGDQXAX-LBPRGKRZSA-N 1 2 364.870 2.129 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)C[C@@H]1C ZINC000246060436 549043242 /nfs/dbraw/zinc/04/32/42/549043242.db2.gz VYTVXJBQGDQXAX-LBPRGKRZSA-N 1 2 364.870 2.129 10 0 FEAELO CSc1ccccc1NC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246318385 549104432 /nfs/dbraw/zinc/10/44/32/549104432.db2.gz CVWIPBVQWOZRNV-YQQAZPJKSA-N 1 2 363.527 2.388 10 0 FEAELO COc1ccccc1COC[C@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246325118 549106714 /nfs/dbraw/zinc/10/67/14/549106714.db2.gz IUVPTSRJNBMRSI-NVXWUHKLSA-N 1 2 364.467 2.103 10 0 FEAELO COc1ccccc1COC[C@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246325118 549106716 /nfs/dbraw/zinc/10/67/16/549106716.db2.gz IUVPTSRJNBMRSI-NVXWUHKLSA-N 1 2 364.467 2.103 10 0 FEAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NC2(CO)CCCC2)c2cccs2)CCO1 ZINC000246385940 549121762 /nfs/dbraw/zinc/12/17/62/549121762.db2.gz NRLQFHSSIKNZQR-LSDHHAIUSA-N 1 2 367.515 2.114 10 0 FEAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NC2(CO)CCCC2)c2cccs2)CCO1 ZINC000246385940 549121766 /nfs/dbraw/zinc/12/17/66/549121766.db2.gz NRLQFHSSIKNZQR-LSDHHAIUSA-N 1 2 367.515 2.114 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246574213 549165523 /nfs/dbraw/zinc/16/55/23/549165523.db2.gz LOJDOCHQBGHGCX-KKUMJFAQSA-N 1 2 362.474 2.255 10 0 FEAELO Cc1cc(CNC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)on1 ZINC000246707008 549193075 /nfs/dbraw/zinc/19/30/75/549193075.db2.gz FLYVBBWGZRXSHI-DZGCQCFKSA-N 1 2 364.471 2.306 10 0 FEAELO Cc1cc(CNC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)on1 ZINC000246707008 549193080 /nfs/dbraw/zinc/19/30/80/549193080.db2.gz FLYVBBWGZRXSHI-DZGCQCFKSA-N 1 2 364.471 2.306 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCO[C@@H](C)[C@H]2C)c2cccs2)CCO1 ZINC000246760739 549206442 /nfs/dbraw/zinc/20/64/42/549206442.db2.gz HRTGVAIRFVVMGV-LVQVYYBASA-N 1 2 367.515 2.329 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCO[C@@H](C)[C@H]2C)c2cccs2)CCO1 ZINC000246760739 549206446 /nfs/dbraw/zinc/20/64/46/549206446.db2.gz HRTGVAIRFVVMGV-LVQVYYBASA-N 1 2 367.515 2.329 10 0 FEAELO C[C@H](Oc1cccc(Cl)c1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246883321 549235444 /nfs/dbraw/zinc/23/54/44/549235444.db2.gz GSKVHPRSQQCJLF-GRDNDAEWSA-N 1 2 352.862 2.286 10 0 FEAELO CCOCCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246926736 549244879 /nfs/dbraw/zinc/24/48/79/549244879.db2.gz OIBXQPZPVPAOPZ-GJZGRUSLSA-N 1 2 355.504 2.236 10 0 FEAELO CCOCCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246926736 549244884 /nfs/dbraw/zinc/24/48/84/549244884.db2.gz OIBXQPZPVPAOPZ-GJZGRUSLSA-N 1 2 355.504 2.236 10 0 FEAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NCc2ccccn2)c2cccs2)CCO1 ZINC000247248930 549306285 /nfs/dbraw/zinc/30/62/85/549306285.db2.gz YOODJYGRIKPORJ-GOEBONIOSA-N 1 2 360.483 2.404 10 0 FEAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NCc2ccccn2)c2cccs2)CCO1 ZINC000247248930 549306287 /nfs/dbraw/zinc/30/62/87/549306287.db2.gz YOODJYGRIKPORJ-GOEBONIOSA-N 1 2 360.483 2.404 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC[C@H]2CSC)nc[nH+]1 ZINC000247652624 549369204 /nfs/dbraw/zinc/36/92/04/549369204.db2.gz WPGXSSPUOKUHSA-KBPBESRZSA-N 1 2 364.519 2.024 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC[C@H]2CSC)[nH+]cn1 ZINC000247652624 549369207 /nfs/dbraw/zinc/36/92/07/549369207.db2.gz WPGXSSPUOKUHSA-KBPBESRZSA-N 1 2 364.519 2.024 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)n1 ZINC000247810590 549383110 /nfs/dbraw/zinc/38/31/10/549383110.db2.gz UVHQWWMTFDXILW-PMPSAXMXSA-N 1 2 371.485 2.323 10 0 FEAELO Cc1cc(-c2noc(CN3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2)ccc1F ZINC000248071347 549404768 /nfs/dbraw/zinc/40/47/68/549404768.db2.gz MPMOIPNULIALKZ-YOEHRIQHSA-N 1 2 360.433 2.337 10 0 FEAELO COC(=O)c1ccc(Cl)c(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000248411391 549431518 /nfs/dbraw/zinc/43/15/18/549431518.db2.gz ZAMIUZFQGGUEAP-CXAGYDPISA-N 1 2 352.862 2.279 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000248627049 549470574 /nfs/dbraw/zinc/47/05/74/549470574.db2.gz DWWPOEMDJGBAMN-RHSMWYFYSA-N 1 2 362.470 2.136 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000248627049 549470578 /nfs/dbraw/zinc/47/05/78/549470578.db2.gz DWWPOEMDJGBAMN-RHSMWYFYSA-N 1 2 362.470 2.136 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000248624721 549470716 /nfs/dbraw/zinc/47/07/16/549470716.db2.gz CQGSUMBBZLQJGJ-IAGOWNOFSA-N 1 2 369.456 2.185 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000248624721 549470718 /nfs/dbraw/zinc/47/07/18/549470718.db2.gz CQGSUMBBZLQJGJ-IAGOWNOFSA-N 1 2 369.456 2.185 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000248649374 549476314 /nfs/dbraw/zinc/47/63/14/549476314.db2.gz VODCIQSGULEBGS-PBHICJAKSA-N 1 2 350.459 2.382 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000248649374 549476319 /nfs/dbraw/zinc/47/63/19/549476319.db2.gz VODCIQSGULEBGS-PBHICJAKSA-N 1 2 350.459 2.382 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000248709013 549487934 /nfs/dbraw/zinc/48/79/34/549487934.db2.gz IIKRHUNUBVOCDZ-HZPDHXFCSA-N 1 2 361.486 2.123 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000248709013 549487935 /nfs/dbraw/zinc/48/79/35/549487935.db2.gz IIKRHUNUBVOCDZ-HZPDHXFCSA-N 1 2 361.486 2.123 10 0 FEAELO CCOC(=O)[C@H](c1cccc(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248890322 549522428 /nfs/dbraw/zinc/52/24/28/549522428.db2.gz RXXGKWAMELGPFW-SJORKVTESA-N 1 2 352.862 2.351 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@H]1C ZINC000248972262 549533074 /nfs/dbraw/zinc/53/30/74/549533074.db2.gz CUKZVRFWEAVYSY-GFCCVEGCSA-N 1 2 366.936 2.441 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(Cl)s2)C[C@H]1C ZINC000248972262 549533076 /nfs/dbraw/zinc/53/30/76/549533076.db2.gz CUKZVRFWEAVYSY-GFCCVEGCSA-N 1 2 366.936 2.441 10 0 FEAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2c2nccs2)C1 ZINC000249861685 549633668 /nfs/dbraw/zinc/63/36/68/549633668.db2.gz GFUWVRYKBFPLSC-CABCVRRESA-N 1 2 365.499 2.472 10 0 FEAELO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H]2c2nccs2)C1 ZINC000249861685 549633670 /nfs/dbraw/zinc/63/36/70/549633670.db2.gz GFUWVRYKBFPLSC-CABCVRRESA-N 1 2 365.499 2.472 10 0 FEAELO COc1ccccc1COC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262913196 549861492 /nfs/dbraw/zinc/86/14/92/549861492.db2.gz FYPIYUHORSUHAG-HNNXBMFYSA-N 1 2 354.397 2.200 10 0 FEAELO COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000263093426 549876862 /nfs/dbraw/zinc/87/68/62/549876862.db2.gz YRMRTZCLHNFWJD-OAHLLOKOSA-N 1 2 352.381 2.114 10 0 FEAELO CC(C)(C)c1noc(C[NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 ZINC000500410867 561572078 /nfs/dbraw/zinc/57/20/78/561572078.db2.gz PSECTIRSXUATJW-PBHICJAKSA-N 1 2 355.442 2.356 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000301650532 553669182 /nfs/dbraw/zinc/66/91/82/553669182.db2.gz PUHIZIPRUPEPOK-BXUZGUMPSA-N 1 2 373.438 2.027 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2NCCC1Cc2ccccc2C1 ZINC000301878501 553687781 /nfs/dbraw/zinc/68/77/81/553687781.db2.gz YZDXLKYDALASLB-UHFFFAOYSA-N 1 2 351.410 2.216 10 0 FEAELO Cc1conc1NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328616607 553796915 /nfs/dbraw/zinc/79/69/15/553796915.db2.gz BVMPPLCZUHDZKF-CQSZACIVSA-N 1 2 357.414 2.663 10 0 FEAELO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc3ncccn23)n1C ZINC000328627467 553798667 /nfs/dbraw/zinc/79/86/67/553798667.db2.gz GGIGISVQYMSXNS-INIZCTEOSA-N 1 2 352.442 2.155 10 0 FEAELO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cnc3ncccn23)n1C ZINC000328627467 553798668 /nfs/dbraw/zinc/79/86/68/553798668.db2.gz GGIGISVQYMSXNS-INIZCTEOSA-N 1 2 352.442 2.155 10 0 FEAELO COc1cc(C(=O)N2CCC[C@H](Nc3ccc(N(C)C)[nH+]c3)CC2)on1 ZINC000328647622 553801802 /nfs/dbraw/zinc/80/18/02/553801802.db2.gz UCXUWYPTBDLVOP-ZDUSSCGKSA-N 1 2 359.430 2.251 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cn3nccc3-c3ccncc3)CC2)s1 ZINC000111164885 670855354 /nfs/dbraw/zinc/85/53/54/670855354.db2.gz VFDIYOZPQDORAB-UHFFFAOYSA-N 1 2 354.483 2.485 10 0 FEAELO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000129604818 672064786 /nfs/dbraw/zinc/06/47/86/672064786.db2.gz KKELEMITIKAHBR-AWEZNQCLSA-N 1 2 356.413 2.356 10 0 FEAELO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000129604818 672064787 /nfs/dbraw/zinc/06/47/87/672064787.db2.gz KKELEMITIKAHBR-AWEZNQCLSA-N 1 2 356.413 2.356 10 0 FEAELO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000159049324 672276849 /nfs/dbraw/zinc/27/68/49/672276849.db2.gz QZFXAOVCBZBONE-ZJUUUORDSA-N 1 2 366.455 2.203 10 0 FEAELO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000159049324 672276851 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C/C(=C\C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O)C[NH+]1CCOCC1 ZINC000908104228 691614799 /nfs/dbraw/zinc/61/47/99/691614799.db2.gz BCFNUQUFJMVVHK-IHIAPNQVSA-N 1 2 350.503 2.197 10 0 FEAELO CCn1ccnc1C[N@H+](C)Cc1cccc(-c2nc(COC)cc(=O)[nH]2)c1 ZINC000023214299 539709198 /nfs/dbraw/zinc/70/91/98/539709198.db2.gz JWRKKNBOHQCXEJ-UHFFFAOYSA-N 1 2 367.453 2.432 10 0 FEAELO CCn1ccnc1C[N@@H+](C)Cc1cccc(-c2nc(COC)cc(=O)[nH]2)c1 ZINC000023214299 539709200 /nfs/dbraw/zinc/70/92/00/539709200.db2.gz JWRKKNBOHQCXEJ-UHFFFAOYSA-N 1 2 367.453 2.432 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CC(C)(C)O1 ZINC000065281513 541232434 /nfs/dbraw/zinc/23/24/34/541232434.db2.gz CVPVPSLYGMQXPC-ZDUSSCGKSA-N 1 2 352.504 2.177 10 0 FEAELO CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000072058375 541781988 /nfs/dbraw/zinc/78/19/88/541781988.db2.gz NBAARGPFIZTWJR-HNNXBMFYSA-N 1 2 362.455 2.219 10 0 FEAELO CCc1nc2c(c(C)nn2-c2ccccc2)c(NCC[NH+]2CCOCC2)n1 ZINC000035988473 208138602 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CCc1noc([C@H](C)N2CC[NH+](CCOc3ccccc3OC)CC2)n1 ZINC000106137020 543206963 /nfs/dbraw/zinc/20/69/63/543206963.db2.gz BGQKQUQSRNKRMT-HNNXBMFYSA-N 1 2 360.458 2.398 10 0 FEAELO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144734 543207922 /nfs/dbraw/zinc/20/79/22/543207922.db2.gz GEMKDLWKLFYDAV-MRXNPFEDSA-N 1 2 363.550 2.449 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000106142026 543208079 /nfs/dbraw/zinc/20/80/79/543208079.db2.gz SMTUDZPOEJGFNB-UHFFFAOYSA-N 1 2 355.486 2.183 10 0 FEAELO C[C@H]1CCCN(C(=O)C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000106145183 543208641 /nfs/dbraw/zinc/20/86/41/543208641.db2.gz MCXGFOXPNOSFMV-KRWDZBQOSA-N 1 2 361.534 2.014 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(Cc3ccc(C(=O)OC)cc3)CC2)cn1 ZINC000106158296 543210057 /nfs/dbraw/zinc/21/00/57/543210057.db2.gz DEDXEODQSYKCHD-UHFFFAOYSA-N 1 2 356.470 2.398 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(Cc3ccc(C(=O)OC)cc3)CC2)cn1 ZINC000106158296 543210059 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COc1ccc(COCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1 ZINC000110510546 543359823 /nfs/dbraw/zinc/35/98/23/543359823.db2.gz QGXOWQVOQNOTPT-KRWDZBQOSA-N 1 2 372.469 2.465 10 0 FEAELO COc1ccc(COCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1 ZINC000110510546 543359827 /nfs/dbraw/zinc/35/98/27/543359827.db2.gz QGXOWQVOQNOTPT-KRWDZBQOSA-N 1 2 372.469 2.465 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)s1 ZINC000110939590 543374833 /nfs/dbraw/zinc/37/48/33/543374833.db2.gz ILUGBIRBTALFDD-GFCCVEGCSA-N 1 2 368.503 2.009 10 0 FEAELO O=C1[C@@H]([N@@H+]2CCCN(c3cccnn3)CC2)CCN1c1ccccc1Cl ZINC000111227166 543386830 /nfs/dbraw/zinc/38/68/30/543386830.db2.gz GSCYVDPOYISQMM-KRWDZBQOSA-N 1 2 371.872 2.448 10 0 FEAELO O=C1[C@@H]([N@H+]2CCCN(c3cccnn3)CC2)CCN1c1ccccc1Cl ZINC000111227166 543386832 /nfs/dbraw/zinc/38/68/32/543386832.db2.gz GSCYVDPOYISQMM-KRWDZBQOSA-N 1 2 371.872 2.448 10 0 FEAELO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)no2)cc1 ZINC000111229149 543386866 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COCC[N@@H+]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)C[C@@H]1C ZINC000117290976 543627261 /nfs/dbraw/zinc/62/72/61/543627261.db2.gz BCGDZNODDKAUCT-LSDHHAIUSA-N 1 2 352.500 2.355 10 0 FEAELO COCC[N@H+]1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)C[C@@H]1C ZINC000117290976 543627266 /nfs/dbraw/zinc/62/72/66/543627266.db2.gz BCGDZNODDKAUCT-LSDHHAIUSA-N 1 2 352.500 2.355 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cccc3c2N=S=N3)CC[N@@H+]1CCOC ZINC000117372275 543630602 /nfs/dbraw/zinc/63/06/02/543630602.db2.gz FOQMFLZFUZPBBH-GFCCVEGCSA-N 1 2 370.500 2.144 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2cccc3c2N=S=N3)CC[N@H+]1CCOC ZINC000117372275 543630603 /nfs/dbraw/zinc/63/06/03/543630603.db2.gz FOQMFLZFUZPBBH-GFCCVEGCSA-N 1 2 370.500 2.144 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000122829951 543726070 /nfs/dbraw/zinc/72/60/70/543726070.db2.gz OIHNPJUCMMLDJN-KGLIPLIRSA-N 1 2 369.303 2.465 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)CCO2)n1 ZINC000122635887 543715075 /nfs/dbraw/zinc/71/50/75/543715075.db2.gz LSONWNHKROJCRG-GOSISDBHSA-N 1 2 352.442 2.186 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)CCO2)n1 ZINC000122635887 543715078 /nfs/dbraw/zinc/71/50/78/543715078.db2.gz LSONWNHKROJCRG-GOSISDBHSA-N 1 2 352.442 2.186 10 0 FEAELO CCOCCC1(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000122671588 543716927 /nfs/dbraw/zinc/71/69/27/543716927.db2.gz KGENVWKORBYXNA-KRWDZBQOSA-N 1 2 353.507 2.090 10 0 FEAELO CCc1cc(C)c(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)o1 ZINC000126498306 543939771 /nfs/dbraw/zinc/93/97/71/543939771.db2.gz SWMMFODEUUXILM-KRWDZBQOSA-N 1 2 372.465 2.348 10 0 FEAELO CCOCCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CCC1 ZINC000127016174 543968174 /nfs/dbraw/zinc/96/81/74/543968174.db2.gz OCRFCWPSHMPJQS-HNNXBMFYSA-N 1 2 361.490 2.200 10 0 FEAELO CCOCCC1(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CCC1 ZINC000127016174 543968178 /nfs/dbraw/zinc/96/81/78/543968178.db2.gz OCRFCWPSHMPJQS-HNNXBMFYSA-N 1 2 361.490 2.200 10 0 FEAELO CC(C)c1csc([C@H]2CCC[N@H+](Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000127739365 544011024 /nfs/dbraw/zinc/01/10/24/544011024.db2.gz KPHONBBNWCAVNA-LBPRGKRZSA-N 1 2 361.519 2.479 10 0 FEAELO CC(C)c1csc([C@H]2CCC[N@@H+](Cc3nc(N)nc(N(C)C)n3)C2)n1 ZINC000127739365 544011025 /nfs/dbraw/zinc/01/10/25/544011025.db2.gz KPHONBBNWCAVNA-LBPRGKRZSA-N 1 2 361.519 2.479 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NC[C@]2(C)CCCO2)c2cccs2)CCO1 ZINC000131294104 544184291 /nfs/dbraw/zinc/18/42/91/544184291.db2.gz OSGSUEWIBLMVMB-VKJFTORMSA-N 1 2 367.515 2.378 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NC[C@]2(C)CCCO2)c2cccs2)CCO1 ZINC000131294104 544184294 /nfs/dbraw/zinc/18/42/94/544184294.db2.gz OSGSUEWIBLMVMB-VKJFTORMSA-N 1 2 367.515 2.378 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[NH+]2CCC(c3ccnn3C)CC2)s1 ZINC000136942420 544381585 /nfs/dbraw/zinc/38/15/85/544381585.db2.gz IRCCGYDZYUQRJD-UHFFFAOYSA-N 1 2 362.503 2.288 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccnc3C(F)(F)F)CC2)cn1 ZINC000136955913 544381821 /nfs/dbraw/zinc/38/18/21/544381821.db2.gz KRCRWYYKORLBGD-UHFFFAOYSA-N 1 2 367.375 2.182 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3cccnc3C(F)(F)F)CC2)cn1 ZINC000136955913 544381822 /nfs/dbraw/zinc/38/18/22/544381822.db2.gz KRCRWYYKORLBGD-UHFFFAOYSA-N 1 2 367.375 2.182 10 0 FEAELO COC(=O)CC(C)(C)CC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000136954765 544381942 /nfs/dbraw/zinc/38/19/42/544381942.db2.gz TZJFSVFZVIOXAP-UHFFFAOYSA-N 1 2 367.515 2.465 10 0 FEAELO COC(=O)CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000136954765 544381943 /nfs/dbraw/zinc/38/19/43/544381943.db2.gz TZJFSVFZVIOXAP-UHFFFAOYSA-N 1 2 367.515 2.465 10 0 FEAELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000150874183 544482436 /nfs/dbraw/zinc/48/24/36/544482436.db2.gz ODNJZYJHTHDENU-KRWDZBQOSA-N 1 2 366.425 2.217 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2cncc(C)c2)nc[nH+]1 ZINC000152316317 544637827 /nfs/dbraw/zinc/63/78/27/544637827.db2.gz HMFQKTFOPPTHAW-SQRWCISFSA-N 1 2 352.442 2.020 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2cncc(C)c2)[nH+]cn1 ZINC000152316317 544637831 /nfs/dbraw/zinc/63/78/31/544637831.db2.gz HMFQKTFOPPTHAW-SQRWCISFSA-N 1 2 352.442 2.020 10 0 FEAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000154148160 544869831 /nfs/dbraw/zinc/86/98/31/544869831.db2.gz FSZUKFDAXGCHBL-ZDUSSCGKSA-N 1 2 364.829 2.023 10 0 FEAELO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1OCC(F)(F)F ZINC000154351492 544895578 /nfs/dbraw/zinc/89/55/78/544895578.db2.gz MGRIEVCMUDBARO-CYBMUJFWSA-N 1 2 361.364 2.388 10 0 FEAELO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1OCC(F)(F)F ZINC000154351492 544895579 /nfs/dbraw/zinc/89/55/79/544895579.db2.gz MGRIEVCMUDBARO-CYBMUJFWSA-N 1 2 361.364 2.388 10 0 FEAELO CC(C)C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1nc(-c2nc[nH]n2)no1 ZINC000179805904 327660527 /nfs/dbraw/zinc/66/05/27/327660527.db2.gz HPXHXJSOSNJJIU-OLZOCXBDSA-N 1 2 356.434 2.343 10 0 FEAELO COC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000187588680 328034828 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OUXXVSLIVVXMPZ-JKIFEVAISA-N 1 2 372.425 2.061 10 0 FEAELO Cc1ccc(-n2cc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cn2)c(C)c1 ZINC000189609267 328157823 /nfs/dbraw/zinc/15/78/23/328157823.db2.gz OATWPPOTIQVKOY-SFHVURJKSA-N 1 2 369.469 2.428 10 0 FEAELO CC[N@@H+]1CC[C@@H](NC(=O)N2CC(CO)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189781370 328167421 /nfs/dbraw/zinc/16/74/21/328167421.db2.gz LHLAYCTXODVBIG-CVEARBPZSA-N 1 2 355.841 2.248 10 0 FEAELO CC[N@H+]1CC[C@@H](NC(=O)N2CC(CO)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189781370 328167422 /nfs/dbraw/zinc/16/74/22/328167422.db2.gz LHLAYCTXODVBIG-CVEARBPZSA-N 1 2 355.841 2.248 10 0 FEAELO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000189871264 328172595 /nfs/dbraw/zinc/17/25/95/328172595.db2.gz FAQMFLKQUNGHSJ-HNNXBMFYSA-N 1 2 360.483 2.153 10 0 FEAELO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000189871264 328172597 /nfs/dbraw/zinc/17/25/97/328172597.db2.gz FAQMFLKQUNGHSJ-HNNXBMFYSA-N 1 2 360.483 2.153 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190727646 328228262 /nfs/dbraw/zinc/22/82/62/328228262.db2.gz JJPPXVHMAZISMF-KRWDZBQOSA-N 1 2 371.441 2.015 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)NC(=O)Nc3ccccc3)CCO2)cn1 ZINC000190727646 328228263 /nfs/dbraw/zinc/22/82/63/328228263.db2.gz JJPPXVHMAZISMF-KRWDZBQOSA-N 1 2 371.441 2.015 10 0 FEAELO O=C(Nc1cc(Cl)ccc1F)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190751431 328230142 /nfs/dbraw/zinc/23/01/42/328230142.db2.gz MPVXGCSCWQILJX-GFCCVEGCSA-N 1 2 350.781 2.305 10 0 FEAELO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(O)cc2F)CC1 ZINC000191909827 328288203 /nfs/dbraw/zinc/28/82/03/328288203.db2.gz KGRICLKRRHKLNR-UHFFFAOYSA-N 1 2 366.433 2.409 10 0 FEAELO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(O)cc2F)CC1 ZINC000191909827 328288205 /nfs/dbraw/zinc/28/82/05/328288205.db2.gz KGRICLKRRHKLNR-UHFFFAOYSA-N 1 2 366.433 2.409 10 0 FEAELO C[C@@H](C(=O)NC1CCCC1)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191984688 328291816 /nfs/dbraw/zinc/29/18/16/328291816.db2.gz VPEDCQNQJVCFFW-HNNXBMFYSA-N 1 2 367.534 2.172 10 0 FEAELO C[C@@H](C(=O)NC1CCCC1)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191984688 328291817 /nfs/dbraw/zinc/29/18/17/328291817.db2.gz VPEDCQNQJVCFFW-HNNXBMFYSA-N 1 2 367.534 2.172 10 0 FEAELO CC[C@@H](C(=O)OC(C)(C)C)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000192004539 328293523 /nfs/dbraw/zinc/29/35/23/328293523.db2.gz BHQZUNBBPKKGKG-KRWDZBQOSA-N 1 2 350.507 2.275 10 0 FEAELO CCCCOC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000193377193 328371778 /nfs/dbraw/zinc/37/17/78/328371778.db2.gz KTVMYBCQRNVFKA-HNNXBMFYSA-N 1 2 372.868 2.415 10 0 FEAELO C[C@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)[NH+]1CCOCC1 ZINC000029958644 324454004 /nfs/dbraw/zinc/45/40/04/324454004.db2.gz KUOIFAFILAKSJW-CQSZACIVSA-N 1 2 362.401 2.448 10 0 FEAELO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)c1cccc(F)c1 ZINC000081473909 325177330 /nfs/dbraw/zinc/17/73/30/325177330.db2.gz RDTOWONNKYWJGL-HYVNUMGLSA-N 1 2 360.433 2.499 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)n1 ZINC000106132297 325585020 /nfs/dbraw/zinc/58/50/20/325585020.db2.gz VSYCFYOKIQQSDY-XHDPSFHLSA-N 1 2 352.385 2.068 10 0 FEAELO COC(=O)c1cccc(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)c1 ZINC000110942646 325696917 /nfs/dbraw/zinc/69/69/17/325696917.db2.gz RRHKBTFFGPLSSN-UHFFFAOYSA-N 1 2 359.451 2.196 10 0 FEAELO Cc1cnn([C@@H]2CCCN(C(=O)NCc3cccnc3-n3cc[nH+]c3)C2)c1 ZINC000111815680 325737022 /nfs/dbraw/zinc/73/70/22/325737022.db2.gz MHMVVNAGKVXWEA-QGZVFWFLSA-N 1 2 365.441 2.319 10 0 FEAELO O=C(c1ccc(Cl)o1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117311459 326056830 /nfs/dbraw/zinc/05/68/30/326056830.db2.gz LOFZTSQXHRFARN-AWEZNQCLSA-N 1 2 364.829 2.131 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2O)C[C@@H]1C ZINC000117424273 326060007 /nfs/dbraw/zinc/06/00/07/326060007.db2.gz YIIMDYRAAXQNDW-LBPRGKRZSA-N 1 2 371.275 2.338 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2O)C[C@@H]1C ZINC000117424273 326060009 /nfs/dbraw/zinc/06/00/09/326060009.db2.gz YIIMDYRAAXQNDW-LBPRGKRZSA-N 1 2 371.275 2.338 10 0 FEAELO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)nc(-c2ccc(Cl)cc2)n1 ZINC000119859227 326205689 /nfs/dbraw/zinc/20/56/89/326205689.db2.gz KXMGTZFSRSHOFU-HNNXBMFYSA-N 1 2 360.845 2.166 10 0 FEAELO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)nc(-c2ccc(Cl)cc2)n1 ZINC000119859227 326205690 /nfs/dbraw/zinc/20/56/90/326205690.db2.gz KXMGTZFSRSHOFU-HNNXBMFYSA-N 1 2 360.845 2.166 10 0 FEAELO C[C@@H]1CN(C(=O)Nc2cccnc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000119960407 326216335 /nfs/dbraw/zinc/21/63/35/326216335.db2.gz GRJTZYJYPZTAGX-DGCLKSJQSA-N 1 2 369.263 2.029 10 0 FEAELO O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121342765 326331218 /nfs/dbraw/zinc/33/12/18/326331218.db2.gz RWZJDYKRQILKPO-HOCLYGCPSA-N 1 2 355.369 2.326 10 0 FEAELO CC(=O)Nc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000121916999 326375592 /nfs/dbraw/zinc/37/55/92/326375592.db2.gz RAYGGFQWKUPPMY-LLVKDONJSA-N 1 2 373.375 2.114 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(F)c(F)cc2F)CC1 ZINC000131295852 326571979 /nfs/dbraw/zinc/57/19/79/326571979.db2.gz CIWZXDXVNWGGCF-UHFFFAOYSA-N 1 2 366.387 2.412 10 0 FEAELO CN(C)c1cccc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000152733827 326715218 /nfs/dbraw/zinc/71/52/18/326715218.db2.gz QJISDPDPQPDBDY-QGZVFWFLSA-N 1 2 369.469 2.031 10 0 FEAELO Cc1ccccc1-c1cc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)n(C)n1 ZINC000153516377 326734763 /nfs/dbraw/zinc/73/47/63/326734763.db2.gz GXXHDZYMCYGTFH-OAHLLOKOSA-N 1 2 357.458 2.238 10 0 FEAELO COC(=O)c1cccc([C@@H](C(=O)OC)[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000156727868 326842236 /nfs/dbraw/zinc/84/22/36/326842236.db2.gz PSQVLJPXCGNZOQ-SFHVURJKSA-N 1 2 371.437 2.296 10 0 FEAELO Cc1ccc2oc(N3CCN(C(=O)[C@@H]4CCn5cc[nH+]c5C4)CC3)nc2c1 ZINC000161612900 327004325 /nfs/dbraw/zinc/00/43/25/327004325.db2.gz UCHYALNQVDVBMH-OAHLLOKOSA-N 1 2 365.437 2.244 10 0 FEAELO COC(=O)c1cccc2nc(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)[nH]c21 ZINC000162488496 327027202 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Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2)n1 ZINC000172749840 327216772 /nfs/dbraw/zinc/21/67/72/327216772.db2.gz ZMQAKJFXJLLMKO-HXUWFJFHSA-N 1 2 368.481 2.095 10 0 FEAELO CCn1c2ccccc2nc1SCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172748710 327216805 /nfs/dbraw/zinc/21/68/05/327216805.db2.gz NTEZAAFDFMDXAM-OAHLLOKOSA-N 1 2 374.510 2.081 10 0 FEAELO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756617 327217133 /nfs/dbraw/zinc/21/71/33/327217133.db2.gz LDXKYMINDFKUAU-QGZVFWFLSA-N 1 2 360.845 2.072 10 0 FEAELO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754599 327217316 /nfs/dbraw/zinc/21/73/16/327217316.db2.gz HXVUXYWZBBVNIT-GOSISDBHSA-N 1 2 372.444 2.175 10 0 FEAELO CCOc1c(Cl)cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1OC ZINC000172762035 327217597 /nfs/dbraw/zinc/21/75/97/327217597.db2.gz AQHHNGOUCLMRGH-AWEZNQCLSA-N 1 2 368.861 2.294 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccnc2Cl)nc[nH+]1 ZINC000173289362 327247292 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CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)c2ccncc2)[nH+]cn1 ZINC000173419315 327255290 /nfs/dbraw/zinc/25/52/90/327255290.db2.gz DNCFUDIPBQZCPD-ZBFHGGJFSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2ccccc2F)nc[nH+]1 ZINC000173441077 327257299 /nfs/dbraw/zinc/25/72/99/327257299.db2.gz GKGVPGGRNTVSNS-OAHLLOKOSA-N 1 2 372.448 2.168 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2ccccc2F)[nH+]cn1 ZINC000173441077 327257300 /nfs/dbraw/zinc/25/73/00/327257300.db2.gz GKGVPGGRNTVSNS-OAHLLOKOSA-N 1 2 372.448 2.168 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)c2cccc(OC)c2)nc[nH+]1 ZINC000173446944 327257861 /nfs/dbraw/zinc/25/78/61/327257861.db2.gz CTBBOLGQCYYBAZ-ZBFHGGJFSA-N 1 2 369.469 2.416 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)c2cccc(OC)c2)[nH+]cn1 ZINC000173446944 327257862 /nfs/dbraw/zinc/25/78/62/327257862.db2.gz CTBBOLGQCYYBAZ-ZBFHGGJFSA-N 1 2 369.469 2.416 10 0 FEAELO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173621014 327271572 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Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000177591967 327532325 /nfs/dbraw/zinc/53/23/25/327532325.db2.gz UBKNHVCLCWAIMM-QGZVFWFLSA-N 1 2 369.469 2.116 10 0 FEAELO Cc1nc(C[C@H]2CCCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)no1 ZINC000177787174 327545171 /nfs/dbraw/zinc/54/51/71/327545171.db2.gz NFGMQSPKNVYLLT-OAHLLOKOSA-N 1 2 354.414 2.190 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NCCc2cccnc2)[NH+]2CCOCC2)s1 ZINC000178505592 327589102 /nfs/dbraw/zinc/58/91/02/327589102.db2.gz RCQZGFGWTZHLGJ-KRWDZBQOSA-N 1 2 374.510 2.367 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000252465276 328794149 /nfs/dbraw/zinc/79/41/49/328794149.db2.gz PTZXYNWDOFHCLJ-MJXUCMMTSA-N 1 2 350.409 2.247 10 0 FEAELO O=C(Cc1cccnc1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275552870 527295794 /nfs/dbraw/zinc/29/57/94/527295794.db2.gz HPMFVVQZYMDTCL-QGZVFWFLSA-N 1 2 352.438 2.299 10 0 FEAELO COc1cc(-c2noc(CN3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)n2)ccc1C ZINC000156652648 545643440 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CCc1ccc(-c2noc(CN3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000177243714 546578497 /nfs/dbraw/zinc/57/84/97/546578497.db2.gz QTTMZBGQFVSXFO-CRAIPNDOSA-N 1 2 356.470 2.452 10 0 FEAELO C[C@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177258330 546581125 /nfs/dbraw/zinc/58/11/25/546581125.db2.gz FGRDURINVDUPAE-BBRMVZONSA-N 1 2 371.403 2.296 10 0 FEAELO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177744225 546678463 /nfs/dbraw/zinc/67/84/63/546678463.db2.gz BLFVKICWLPJLQY-GOSISDBHSA-N 1 2 369.425 2.105 10 0 FEAELO Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)c3nnc4n3CCCC4)cn21 ZINC000178775772 546848091 /nfs/dbraw/zinc/84/80/91/546848091.db2.gz MFRPPOYEJSZFLS-ZDUSSCGKSA-N 1 2 353.430 2.131 10 0 FEAELO C[C@H]1CN(C(=O)c2ccccc2OC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000180275229 547077304 /nfs/dbraw/zinc/07/73/04/547077304.db2.gz YKUSAPQBDBSIGS-GXTWGEPZSA-N 1 2 358.360 2.378 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCCCCCCO)c2cccs2)CCO1 ZINC000180694915 547160368 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CC(C)c1nnc(CS(=O)(=O)Cc2cn3cc(Cl)ccc3[nH+]2)n1C ZINC000182379404 547482387 /nfs/dbraw/zinc/48/23/87/547482387.db2.gz UJJCUJXBFBILRG-UHFFFAOYSA-N 1 2 367.862 2.355 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2ccc(O)cc2O)c2cccs2)CCO1 ZINC000182556443 547513339 /nfs/dbraw/zinc/51/33/39/547513339.db2.gz OYGCESQGEZVOGV-DOMZBBRYSA-N 1 2 362.451 2.351 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000184209162 547787240 /nfs/dbraw/zinc/78/72/40/547787240.db2.gz PWOODYAWKULROZ-LJQANCHMSA-N 1 2 356.470 2.049 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000184209162 547787241 /nfs/dbraw/zinc/78/72/41/547787241.db2.gz PWOODYAWKULROZ-LJQANCHMSA-N 1 2 356.470 2.049 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000184231495 547791979 /nfs/dbraw/zinc/79/19/79/547791979.db2.gz BIDYKDVGMJRBRI-IBGZPJMESA-N 1 2 373.497 2.365 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000184231495 547791984 /nfs/dbraw/zinc/79/19/84/547791984.db2.gz BIDYKDVGMJRBRI-IBGZPJMESA-N 1 2 373.497 2.365 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000184489064 547835871 /nfs/dbraw/zinc/83/58/71/547835871.db2.gz OULNVPZNYXMFGX-PBHICJAKSA-N 1 2 367.440 2.161 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000184489064 547835874 /nfs/dbraw/zinc/83/58/74/547835874.db2.gz OULNVPZNYXMFGX-PBHICJAKSA-N 1 2 367.440 2.161 10 0 FEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000185683191 548019494 /nfs/dbraw/zinc/01/94/94/548019494.db2.gz FBNGGNGQBODSJJ-ZBFHGGJFSA-N 1 2 362.499 2.436 10 0 FEAELO CCCCOc1cc(OC)ccc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000185884687 548051805 /nfs/dbraw/zinc/05/18/05/548051805.db2.gz SNAJJTRXSXXWHH-OAHLLOKOSA-N 1 2 350.459 2.325 10 0 FEAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@H]12 ZINC000186020311 548073565 /nfs/dbraw/zinc/07/35/65/548073565.db2.gz NTRRHYPCPBYDLB-FRRDWIJNSA-N 1 2 366.487 2.317 10 0 FEAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@H]12 ZINC000186020311 548073568 /nfs/dbraw/zinc/07/35/68/548073568.db2.gz NTRRHYPCPBYDLB-FRRDWIJNSA-N 1 2 366.487 2.317 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C(=O)OC)co3)CC2)cn1 ZINC000186302950 548115207 /nfs/dbraw/zinc/11/52/07/548115207.db2.gz ZZKYURHOJGBTMT-UHFFFAOYSA-N 1 2 374.441 2.021 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(C(=O)OC)co3)CC2)cn1 ZINC000186302950 548115211 /nfs/dbraw/zinc/11/52/11/548115211.db2.gz ZZKYURHOJGBTMT-UHFFFAOYSA-N 1 2 374.441 2.021 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000186386087 548127793 /nfs/dbraw/zinc/12/77/93/548127793.db2.gz HSRAERCFBQJXLP-LJQANCHMSA-N 1 2 366.433 2.081 10 0 FEAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000186386087 548127794 /nfs/dbraw/zinc/12/77/94/548127794.db2.gz HSRAERCFBQJXLP-LJQANCHMSA-N 1 2 366.433 2.081 10 0 FEAELO C[C@@H]1C(=O)NCCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000188086164 548270594 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FEAELO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000195505878 548651704 /nfs/dbraw/zinc/65/17/04/548651704.db2.gz WXKXJPLKIWFDIS-AWEZNQCLSA-N 1 2 372.469 2.484 10 0 FEAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1cccc(N2CCCC2=O)c1 ZINC000195505390 548652507 /nfs/dbraw/zinc/65/25/07/548652507.db2.gz FRGGKNPUHBSHIV-UHFFFAOYSA-N 1 2 367.453 2.355 10 0 FEAELO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000245480836 548932633 /nfs/dbraw/zinc/93/26/33/548932633.db2.gz XQHORPKISJKAIY-UONOGXRCSA-N 1 2 366.487 2.344 10 0 FEAELO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000245480836 548932636 /nfs/dbraw/zinc/93/26/36/548932636.db2.gz XQHORPKISJKAIY-UONOGXRCSA-N 1 2 366.487 2.344 10 0 FEAELO CCc1nn(C)cc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000245605562 548955972 /nfs/dbraw/zinc/95/59/72/548955972.db2.gz MFNNNTCILRYPDM-BBRMVZONSA-N 1 2 362.499 2.236 10 0 FEAELO CCc1nn(C)cc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000245605562 548955974 /nfs/dbraw/zinc/95/59/74/548955974.db2.gz MFNNNTCILRYPDM-BBRMVZONSA-N 1 2 362.499 2.236 10 0 FEAELO CC[C@](C)(CCO)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246352518 549112498 /nfs/dbraw/zinc/11/24/98/549112498.db2.gz XCZHUWDRBSQIGQ-RLFYNMQTSA-N 1 2 369.531 2.360 10 0 FEAELO CC[C@](C)(CCO)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246352518 549112503 /nfs/dbraw/zinc/11/25/03/549112503.db2.gz XCZHUWDRBSQIGQ-RLFYNMQTSA-N 1 2 369.531 2.360 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CC[C@@H]2CCOC2)c2cccs2)CCO1 ZINC000246391084 549122767 /nfs/dbraw/zinc/12/27/67/549122767.db2.gz IVFOFDXCNSOABQ-BZUAXINKSA-N 1 2 352.500 2.443 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)CC[C@@H]2CCOC2)c2cccs2)CCO1 ZINC000246391084 549122769 /nfs/dbraw/zinc/12/27/69/549122769.db2.gz IVFOFDXCNSOABQ-BZUAXINKSA-N 1 2 352.500 2.443 10 0 FEAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NCc2cccnc2)c2cccs2)CCO1 ZINC000246797687 549215884 /nfs/dbraw/zinc/21/58/84/549215884.db2.gz AVOAWCZUGVOSKA-GOEBONIOSA-N 1 2 360.483 2.404 10 0 FEAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NCc2cccnc2)c2cccs2)CCO1 ZINC000246797687 549215886 /nfs/dbraw/zinc/21/58/86/549215886.db2.gz AVOAWCZUGVOSKA-GOEBONIOSA-N 1 2 360.483 2.404 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000246886634 549234850 /nfs/dbraw/zinc/23/48/50/549234850.db2.gz OVPOLQIWRWYGDF-DOTOQJQBSA-N 1 2 356.470 2.302 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC[N@H+]1C[C@H](C)O ZINC000246886634 549234854 /nfs/dbraw/zinc/23/48/54/549234854.db2.gz OVPOLQIWRWYGDF-DOTOQJQBSA-N 1 2 356.470 2.302 10 0 FEAELO CCOCC[N@@H+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000246950924 549249465 /nfs/dbraw/zinc/24/94/65/549249465.db2.gz BINDXHZBQLUWAV-XJKSGUPXSA-N 1 2 363.502 2.448 10 0 FEAELO CCOCC[N@H+]1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@@H]1C ZINC000246950924 549249471 /nfs/dbraw/zinc/24/94/71/549249471.db2.gz BINDXHZBQLUWAV-XJKSGUPXSA-N 1 2 363.502 2.448 10 0 FEAELO CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000247041494 549272020 /nfs/dbraw/zinc/27/20/20/549272020.db2.gz SWIHTWOGIKSHSM-XIRDDKMYSA-N 1 2 350.434 2.162 10 0 FEAELO Cc1cnn(CCC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c1 ZINC000247122948 549287889 /nfs/dbraw/zinc/28/78/89/549287889.db2.gz XIWUWFIADCBDIN-JKSUJKDBSA-N 1 2 362.499 2.221 10 0 FEAELO Cc1cnn(CCC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000247122948 549287891 /nfs/dbraw/zinc/28/78/91/549287891.db2.gz XIWUWFIADCBDIN-JKSUJKDBSA-N 1 2 362.499 2.221 10 0 FEAELO CC(C)C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247278424 549310956 /nfs/dbraw/zinc/31/09/56/549310956.db2.gz SPZMVAFLHIUKIZ-ARFHVFGLSA-N 1 2 369.531 2.216 10 0 FEAELO CC(C)C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247278424 549310958 /nfs/dbraw/zinc/31/09/58/549310958.db2.gz SPZMVAFLHIUKIZ-ARFHVFGLSA-N 1 2 369.531 2.216 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)cs1 ZINC000247570279 549360157 /nfs/dbraw/zinc/36/01/57/549360157.db2.gz WOAUYGKKTRVSTE-CZUORRHYSA-N 1 2 352.504 2.236 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@H]3CCCO3)CC2)cs1 ZINC000247570279 549360160 /nfs/dbraw/zinc/36/01/60/549360160.db2.gz WOAUYGKKTRVSTE-CZUORRHYSA-N 1 2 352.504 2.236 10 0 FEAELO CC[C@H](COC)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248333878 549419949 /nfs/dbraw/zinc/41/99/49/549419949.db2.gz FWYVMPLWJZKSNF-ZNMIVQPWSA-N 1 2 355.504 2.234 10 0 FEAELO CC[C@H](COC)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248333878 549419953 /nfs/dbraw/zinc/41/99/53/549419953.db2.gz FWYVMPLWJZKSNF-ZNMIVQPWSA-N 1 2 355.504 2.234 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccccc2SC)C[C@H]1C ZINC000249059551 549544828 /nfs/dbraw/zinc/54/48/28/549544828.db2.gz FYULPWIEBCSNOE-CQSZACIVSA-N 1 2 358.529 2.140 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccccc2SC)C[C@H]1C ZINC000249059551 549544834 /nfs/dbraw/zinc/54/48/34/549544834.db2.gz FYULPWIEBCSNOE-CQSZACIVSA-N 1 2 358.529 2.140 10 0 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CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000101564253 543033463 /nfs/dbraw/zinc/03/34/63/543033463.db2.gz OTDMOCUXYZHBOQ-MRXNPFEDSA-N 1 2 374.485 2.332 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000101564253 543033465 /nfs/dbraw/zinc/03/34/65/543033465.db2.gz OTDMOCUXYZHBOQ-MRXNPFEDSA-N 1 2 374.485 2.332 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC000101563427 543033677 /nfs/dbraw/zinc/03/36/77/543033677.db2.gz WSMVJCSGGGQOJF-INIZCTEOSA-N 1 2 361.486 2.460 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(C)o2)C2CC2)C1 ZINC000101563427 543033680 /nfs/dbraw/zinc/03/36/80/543033680.db2.gz WSMVJCSGGGQOJF-INIZCTEOSA-N 1 2 361.486 2.460 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000101565559 543034189 /nfs/dbraw/zinc/03/41/89/543034189.db2.gz KJACZBWSGAORRG-INIZCTEOSA-N 1 2 351.878 2.337 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000101565559 543034192 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O=C1CCCN1CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152888316 326718870 /nfs/dbraw/zinc/71/88/70/326718870.db2.gz XQVWVJFCNCBOOD-UHFFFAOYSA-N 1 2 354.454 2.082 10 0 FEAELO Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1O)c1cccc(F)c1 ZINC000153128975 326724630 /nfs/dbraw/zinc/72/46/30/326724630.db2.gz YNQOINMJWSCZLU-BHYGNILZSA-N 1 2 360.433 2.499 10 0 FEAELO COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000153770826 326742220 /nfs/dbraw/zinc/74/22/20/326742220.db2.gz YOKOGVHRAALCHI-CRAIPNDOSA-N 1 2 372.469 2.099 10 0 FEAELO CC[C@@](C)(CCO)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000154478114 326761048 /nfs/dbraw/zinc/76/10/48/326761048.db2.gz GACBYVYEPODHTP-YJBOKZPZSA-N 1 2 369.531 2.280 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CN[C@@H](C(=O)OC)c2ccccc2C)nc[nH+]1 ZINC000162930891 327038216 /nfs/dbraw/zinc/03/82/16/327038216.db2.gz GTPAZGPPWLJFPT-DNVCBOLYSA-N 1 2 369.469 2.299 10 0 FEAELO COc1cc(Br)cc(C)c1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000170708315 327094974 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COc1ccc(COC[C@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000171662656 327153156 /nfs/dbraw/zinc/15/31/56/327153156.db2.gz PDZHHIQIQAQNPJ-WBVHZDCISA-N 1 2 364.467 2.103 10 0 FEAELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1 ZINC000171705128 327156231 /nfs/dbraw/zinc/15/62/31/327156231.db2.gz KHDXCFBKTKMAHY-AWEZNQCLSA-N 1 2 364.247 2.316 10 0 FEAELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1 ZINC000171705128 327156232 /nfs/dbraw/zinc/15/62/32/327156232.db2.gz KHDXCFBKTKMAHY-AWEZNQCLSA-N 1 2 364.247 2.316 10 0 FEAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CCc3cscn3)CC2)cn1 ZINC000172112111 327181495 /nfs/dbraw/zinc/18/14/95/327181495.db2.gz USLPLCUTNQLIKC-UHFFFAOYSA-N 1 2 361.515 2.372 10 0 FEAELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)n1Cc1ccccn1 ZINC000172747597 327216579 /nfs/dbraw/zinc/21/65/79/327216579.db2.gz MAOVAXAOWDBINS-IBGZPJMESA-N 1 2 368.481 2.095 10 0 FEAELO CCc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1Cc1ccccc1 ZINC000172747458 327216752 /nfs/dbraw/zinc/21/67/52/327216752.db2.gz YOSFZNQYHJOCAV-SFHVURJKSA-N 1 2 368.481 2.041 10 0 FEAELO O=C(c1cc2c(cccc2OC(F)F)[nH]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172754013 327217224 /nfs/dbraw/zinc/21/72/24/327217224.db2.gz MCQXXDZJABUXIS-GFCCVEGCSA-N 1 2 365.380 2.316 10 0 FEAELO O=C(c1ccc(N2CCCCCC2)nc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172763150 327217735 /nfs/dbraw/zinc/21/77/35/327217735.db2.gz PSORDGRZRAWTFI-SFHVURJKSA-N 1 2 358.486 2.009 10 0 FEAELO OC[C@H]1CCCN1c1cc(N2CC[C@@H](COCc3ccccc3)C2)[nH+]cn1 ZINC000172776223 327218395 /nfs/dbraw/zinc/21/83/95/327218395.db2.gz KAKPXVHQTWISAH-RTBURBONSA-N 1 2 368.481 2.481 10 0 FEAELO OC[C@H]1CCCN1c1cc(N2CC[C@@H](COCc3ccccc3)C2)nc[nH+]1 ZINC000172776223 327218397 /nfs/dbraw/zinc/21/83/97/327218397.db2.gz KAKPXVHQTWISAH-RTBURBONSA-N 1 2 368.481 2.481 10 0 FEAELO Cc1nc(C)c(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)s1 ZINC000172793998 327219349 /nfs/dbraw/zinc/21/93/49/327219349.db2.gz IMSIMWMUKHBWMQ-QGZVFWFLSA-N 1 2 361.511 2.317 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2C(C)=O)nc[nH+]1 ZINC000173419065 327255037 /nfs/dbraw/zinc/25/50/37/327255037.db2.gz CSFFNDPNSAPRNG-AWEZNQCLSA-N 1 2 353.426 2.120 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccccc2C(C)=O)[nH+]cn1 ZINC000173419065 327255038 /nfs/dbraw/zinc/25/50/38/327255038.db2.gz CSFFNDPNSAPRNG-AWEZNQCLSA-N 1 2 353.426 2.120 10 0 FEAELO CCO[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000173427264 327255823 /nfs/dbraw/zinc/25/58/23/327255823.db2.gz MVYJFPYRJASAIM-APWZRJJASA-N 1 2 369.469 2.381 10 0 FEAELO CCO[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccccc1 ZINC000173427264 327255825 /nfs/dbraw/zinc/25/58/25/327255825.db2.gz MVYJFPYRJASAIM-APWZRJJASA-N 1 2 369.469 2.381 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)n1 ZINC000173490684 327260915 /nfs/dbraw/zinc/26/09/15/327260915.db2.gz XKVVNKRHJIOJQB-OAHLLOKOSA-N 1 2 366.531 2.451 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)n1 ZINC000173490684 327260916 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2.332 10 0 FEAELO COc1ccc2cc(CNC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)ccc2c1 ZINC000173767806 327282850 /nfs/dbraw/zinc/28/28/50/327282850.db2.gz QMYVMPWRUHLJMZ-LJQANCHMSA-N 1 2 369.465 2.465 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)[nH]n2)cc1 ZINC000173805415 327285602 /nfs/dbraw/zinc/28/56/02/327285602.db2.gz XCEUIIYQNKDUAD-BEFAXECRSA-N 1 2 354.454 2.178 10 0 FEAELO C[C@H]1CN(C(=O)c2ccccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000173812517 327286056 /nfs/dbraw/zinc/28/60/56/327286056.db2.gz KZVSGUXSQVBVQN-SWLSCSKDSA-N 1 2 353.260 2.242 10 0 FEAELO C[C@H]1CN(C(=O)COc2ccc(F)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000173825909 327287022 /nfs/dbraw/zinc/28/70/22/327287022.db2.gz LDAJLFSAKZINFX-SWLSCSKDSA-N 1 2 356.825 2.037 10 0 FEAELO C[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173828919 327287165 /nfs/dbraw/zinc/28/71/65/327287165.db2.gz HLLWFHWEHIOEGJ-MLGOLLRUSA-N 1 2 356.825 2.037 10 0 FEAELO C[C@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173828904 327287283 /nfs/dbraw/zinc/28/72/83/327287283.db2.gz HLLWFHWEHIOEGJ-LRDDRELGSA-N 1 2 356.825 2.037 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173847969 327288597 /nfs/dbraw/zinc/28/85/97/327288597.db2.gz CZXSLVMQZFEOKP-SWLSCSKDSA-N 1 2 353.260 2.242 10 0 FEAELO Cc1noc2nc(C(C)C)cc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c12 ZINC000173873935 327290779 /nfs/dbraw/zinc/29/07/79/327290779.db2.gz MBFHGCWAABCEPB-SUMWQHHRSA-N 1 2 372.469 2.447 10 0 FEAELO C[C@H]1CN(C(=O)c2cccn2Cc2cccs2)C[C@H]1[NH+]1CCOCC1 ZINC000173888320 327291693 /nfs/dbraw/zinc/29/16/93/327291693.db2.gz AQOBRUCYXJMRLX-MAUKXSAKSA-N 1 2 359.495 2.391 10 0 FEAELO CN(C)c1ccc(Cl)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173903892 327292989 /nfs/dbraw/zinc/29/29/89/327292989.db2.gz QYSDUCUKIWYERP-AWEZNQCLSA-N 1 2 352.866 2.344 10 0 FEAELO Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173923900 327294983 /nfs/dbraw/zinc/29/49/83/327294983.db2.gz DRKJBAKELYQOLH-LBPRGKRZSA-N 1 2 351.410 2.283 10 0 FEAELO C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173940359 327296175 /nfs/dbraw/zinc/29/61/75/327296175.db2.gz XPVARNRYWXDERX-GFCCVEGCSA-N 1 2 369.454 2.163 10 0 FEAELO Cc1cc(C)n2nc(C(=O)N[C@H](C)c3cccc(-n4cc[nH+]c4)c3)nc2n1 ZINC000173944297 327296603 /nfs/dbraw/zinc/29/66/03/327296603.db2.gz KVYUSJZIWDRYRO-CQSZACIVSA-N 1 2 361.409 2.418 10 0 FEAELO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173946670 327296802 /nfs/dbraw/zinc/29/68/02/327296802.db2.gz WRVDAVGRGDUJCI-KBPBESRZSA-N 1 2 371.403 2.439 10 0 FEAELO Cc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(=O)[nH]1 ZINC000173950023 327297027 /nfs/dbraw/zinc/29/70/27/327297027.db2.gz IPXPEOWRAXNLJW-ZDUSSCGKSA-N 1 2 365.437 2.382 10 0 FEAELO CCc1c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cnn1-c1ccccc1 ZINC000173959862 327297722 /nfs/dbraw/zinc/29/77/22/327297722.db2.gz VCKBHGLDOXIJOZ-JXFKEZNVSA-N 1 2 368.481 2.227 10 0 FEAELO Cc1ccc(C2(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)CCOCC2)cc1 ZINC000173962624 327298036 /nfs/dbraw/zinc/29/80/36/327298036.db2.gz JCQBVWVYHTTXKP-QUCCMNQESA-N 1 2 372.509 2.222 10 0 FEAELO c1ccc(-n2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)c3c2CCC3)cc1 ZINC000173996351 327300267 /nfs/dbraw/zinc/30/02/67/327300267.db2.gz GNJLEMCFIUEURC-GOSISDBHSA-N 1 2 352.482 2.268 10 0 FEAELO CSCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1F ZINC000174342157 327321269 /nfs/dbraw/zinc/32/12/69/327321269.db2.gz PHJHCVABHXVJHK-CXAGYDPISA-N 1 2 352.475 2.481 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C[C@H]1[NH+]1CCOCC1 ZINC000174733257 327346685 /nfs/dbraw/zinc/34/66/85/327346685.db2.gz VKUTZUMYJYZCOV-CJXUKZFBSA-N 1 2 354.494 2.460 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C[C@@H]1[NH+]1CCOCC1 ZINC000174733227 327346828 /nfs/dbraw/zinc/34/68/28/327346828.db2.gz VKUTZUMYJYZCOV-MOFCZTIZSA-N 1 2 354.494 2.460 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(OC)c(F)c2)nc[nH+]1 ZINC000175148739 327376899 /nfs/dbraw/zinc/37/68/99/327376899.db2.gz 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CC[C@@H]1CN(S(=O)(=O)Cc2ccc(C)c(F)c2)CC[N@@H+]1CCOC ZINC000184152466 547777815 /nfs/dbraw/zinc/77/78/15/547777815.db2.gz KAUGZOBMNDMRDW-MRXNPFEDSA-N 1 2 358.479 2.007 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)Cc2ccc(C)c(F)c2)CC[N@H+]1CCOC ZINC000184152466 547777820 /nfs/dbraw/zinc/77/78/20/547777820.db2.gz KAUGZOBMNDMRDW-MRXNPFEDSA-N 1 2 358.479 2.007 10 0 FEAELO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000184199526 547785487 /nfs/dbraw/zinc/78/54/87/547785487.db2.gz CTERSHGIAFKDFB-MRXNPFEDSA-N 1 2 363.483 2.430 10 0 FEAELO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000184199526 547785491 /nfs/dbraw/zinc/78/54/91/547785491.db2.gz CTERSHGIAFKDFB-MRXNPFEDSA-N 1 2 363.483 2.430 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000185678981 548018036 /nfs/dbraw/zinc/01/80/36/548018036.db2.gz USCBEULQDFTMCF-SQNIBIBYSA-N 1 2 361.486 2.000 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)C1 ZINC000185678981 548018039 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CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000185905672 548057305 /nfs/dbraw/zinc/05/73/05/548057305.db2.gz UNGUQRYEOIFWEM-OAHLLOKOSA-N 1 2 372.473 2.009 10 0 FEAELO CCCCn1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c(C)n1 ZINC000185939329 548062682 /nfs/dbraw/zinc/06/26/82/548062682.db2.gz MCEDRLJPGIXTRD-HNNXBMFYSA-N 1 2 371.489 2.222 10 0 FEAELO CCCCn1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)c(C)n1 ZINC000185939329 548062686 /nfs/dbraw/zinc/06/26/86/548062686.db2.gz MCEDRLJPGIXTRD-HNNXBMFYSA-N 1 2 371.489 2.222 10 0 FEAELO CCCNC(=O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186085335 548081799 /nfs/dbraw/zinc/08/17/99/548081799.db2.gz RKUXLULZJLDFRG-MRXNPFEDSA-N 1 2 363.259 2.444 10 0 FEAELO Cn1cc(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c2ccc(Cl)cc21 ZINC000188539659 548281663 /nfs/dbraw/zinc/28/16/63/548281663.db2.gz DRRGZHWTGDRLLE-OAHLLOKOSA-N 1 2 364.877 2.004 10 0 FEAELO Cn1cc(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c2ccc(Cl)cc21 ZINC000188539659 548281666 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C[NH+](C)[C@H](C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000195291528 548612748 /nfs/dbraw/zinc/61/27/48/548612748.db2.gz PIDARWXFXDXNPN-WMZOPIPTSA-N 1 2 358.463 2.324 10 0 FEAELO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccc(Br)cn1 ZINC000195505259 548652776 /nfs/dbraw/zinc/65/27/76/548652776.db2.gz OOXBXNUJJYLEKW-UHFFFAOYSA-N 1 2 364.247 2.385 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N[C@@H]2CCCOCC2)c2cccs2)CCO1 ZINC000245622912 548959383 /nfs/dbraw/zinc/95/93/83/548959383.db2.gz QAHFPWCRKCBVOV-BZUAXINKSA-N 1 2 367.515 2.378 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N[C@@H]2CCCOCC2)c2cccs2)CCO1 ZINC000245622912 548959387 /nfs/dbraw/zinc/95/93/87/548959387.db2.gz QAHFPWCRKCBVOV-BZUAXINKSA-N 1 2 367.515 2.378 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)Cc1ccccc1OC ZINC000245928561 549020844 /nfs/dbraw/zinc/02/08/44/549020844.db2.gz XJVSMOKKESLXCQ-JQHSSLGASA-N 1 2 374.481 2.460 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)Cc1ccccc1OC ZINC000245928561 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O=C(NCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000089262687 670697060 /nfs/dbraw/zinc/69/70/60/670697060.db2.gz JHXOTBNDZXSBLP-GXFFZTMASA-N 1 2 352.303 2.141 10 0 FEAELO O=C(NCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000089262687 670697067 /nfs/dbraw/zinc/69/70/67/670697067.db2.gz JHXOTBNDZXSBLP-GXFFZTMASA-N 1 2 352.303 2.141 10 0 FEAELO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000122542747 671968095 /nfs/dbraw/zinc/96/80/95/671968095.db2.gz PROIJHIESCOTEY-MEDUHNTESA-N 1 2 350.415 2.106 10 0 FEAELO CCc1nn(C)c(Cl)c1CN1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175196889 672365976 /nfs/dbraw/zinc/36/59/76/672365976.db2.gz JYJOZNMIDWSTHS-AWEZNQCLSA-N 1 2 369.941 2.009 10 0 FEAELO C[C@@H](CNC(=O)N1CCc2c1cccc2C(F)(F)F)[NH+]1CCOCC1 ZINC000184928627 672512295 /nfs/dbraw/zinc/51/22/95/672512295.db2.gz AWPVQLYBCKKPSW-LBPRGKRZSA-N 1 2 357.376 2.498 10 0 FEAELO CCCOc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1OCCC ZINC000194630005 672764795 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FEAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(S(=O)(=O)c2ccccc2F)C1 ZINC000888102697 688546431 /nfs/dbraw/zinc/54/64/31/688546431.db2.gz GWGFMNARKFZCHN-OCCSQVGLSA-N 1 2 353.419 2.316 10 0 FEAELO COC(=O)c1ccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000888893625 688694769 /nfs/dbraw/zinc/69/47/69/688694769.db2.gz KTHOTJJGQLFKTO-PWSUYJOCSA-N 1 2 364.427 2.310 10 0 FEAELO CCNC(=O)N1CC[NH+]([C@@H](C(=O)NC[C@@H](C)CC)C2CCCC2)CC1 ZINC000036310544 539988308 /nfs/dbraw/zinc/98/83/08/539988308.db2.gz WNZHVOVQGAKNRS-DOTOQJQBSA-N 1 2 352.523 2.055 10 0 FEAELO C[C@H](CNC(=O)NCCCSc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000047798511 540328935 /nfs/dbraw/zinc/32/89/35/540328935.db2.gz GOYOWIBOSPOKIA-CQSZACIVSA-N 1 2 355.479 2.328 10 0 FEAELO CCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066976857 541403257 /nfs/dbraw/zinc/40/32/57/541403257.db2.gz YILORNQIYZGNBA-IRXDYDNUSA-N 1 2 363.502 2.378 10 0 FEAELO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(Cc2ccon2)CC1 ZINC000072722892 541858008 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Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nn1 ZINC000106073170 543190073 /nfs/dbraw/zinc/19/00/73/543190073.db2.gz JUMGSEMBWHZYMV-AWEZNQCLSA-N 1 2 374.876 2.373 10 0 FEAELO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nn1 ZINC000106073170 543190075 /nfs/dbraw/zinc/19/00/75/543190075.db2.gz JUMGSEMBWHZYMV-AWEZNQCLSA-N 1 2 374.876 2.373 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)s1 ZINC000106091327 543194729 /nfs/dbraw/zinc/19/47/29/543194729.db2.gz PNCUUYOZXIZWCL-YOEHRIQHSA-N 1 2 350.532 2.264 10 0 FEAELO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000106137747 543206907 /nfs/dbraw/zinc/20/69/07/543206907.db2.gz QYXZOZUFRSDQHV-KKUMJFAQSA-N 1 2 351.495 2.004 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000106142312 543207547 /nfs/dbraw/zinc/20/75/47/543207547.db2.gz AYOIVUCBVWHEMD-SFHVURJKSA-N 1 2 364.440 2.166 10 0 FEAELO CCn1c(C)nnc1CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141024 543207553 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C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1 ZINC000184415922 547824759 /nfs/dbraw/zinc/82/47/59/547824759.db2.gz XFGQZJKYHWFZFI-AWEZNQCLSA-N 1 2 372.473 2.017 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1 ZINC000184415922 547824761 /nfs/dbraw/zinc/82/47/61/547824761.db2.gz XFGQZJKYHWFZFI-AWEZNQCLSA-N 1 2 372.473 2.017 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000184487859 547835528 /nfs/dbraw/zinc/83/55/28/547835528.db2.gz XNBXBTFGMAZEQO-IBGZPJMESA-N 1 2 361.486 2.087 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000184487859 547835531 /nfs/dbraw/zinc/83/55/31/547835531.db2.gz XNBXBTFGMAZEQO-IBGZPJMESA-N 1 2 361.486 2.087 10 0 FEAELO Cc1c(Br)ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1F ZINC000194220993 548451557 /nfs/dbraw/zinc/45/15/57/548451557.db2.gz FQWHCAXLQDIVEO-JTQLQIEISA-N 1 2 360.227 2.349 10 0 FEAELO Cc1c(Br)ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1F ZINC000194220993 548451564 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Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C)C2)n1 ZINC000195090434 548574720 /nfs/dbraw/zinc/57/47/20/548574720.db2.gz ACXVHNLGSDNIAC-OAHLLOKOSA-N 1 2 354.458 2.247 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCO2)[nH]1 ZINC000195176707 548591612 /nfs/dbraw/zinc/59/16/12/548591612.db2.gz QRJPHELMPPWRMT-KSSFIOAISA-N 1 2 365.478 2.134 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CCO2)[nH]1 ZINC000195176707 548591615 /nfs/dbraw/zinc/59/16/15/548591615.db2.gz QRJPHELMPPWRMT-KSSFIOAISA-N 1 2 365.478 2.134 10 0 FEAELO CC(C)S(=O)(=O)CCCN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195270814 548607706 /nfs/dbraw/zinc/60/77/06/548607706.db2.gz MKVDLUOPBULHQN-SFHVURJKSA-N 1 2 353.532 2.049 10 0 FEAELO CC(C)S(=O)(=O)CCCN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195270814 548607709 /nfs/dbraw/zinc/60/77/09/548607709.db2.gz MKVDLUOPBULHQN-SFHVURJKSA-N 1 2 353.532 2.049 10 0 FEAELO COc1ccc(CC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224352296 548729191 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543350131 /nfs/dbraw/zinc/35/01/31/543350131.db2.gz AEPRLFOPZRNABH-INIZCTEOSA-N 1 2 366.469 2.070 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCN(C(=O)c4ccccn4)CC3)[nH+]cn2)C1 ZINC000110128384 543350133 /nfs/dbraw/zinc/35/01/33/543350133.db2.gz AEPRLFOPZRNABH-INIZCTEOSA-N 1 2 366.469 2.070 10 0 FEAELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111682758 543411943 /nfs/dbraw/zinc/41/19/43/543411943.db2.gz SXOPZGIOCXUOFU-JKSUJKDBSA-N 1 2 365.905 2.002 10 0 FEAELO CCC[C@@H](C)N1C[C@@H](C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1=O ZINC000112670588 543456501 /nfs/dbraw/zinc/45/65/01/543456501.db2.gz FNGHHYCVLZBMOU-CABCVRRESA-N 1 2 360.502 2.465 10 0 FEAELO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114201575 543507712 /nfs/dbraw/zinc/50/77/12/543507712.db2.gz XLFUGKLJBUZIEY-QGZVFWFLSA-N 1 2 355.442 2.325 10 0 FEAELO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114201575 543507713 /nfs/dbraw/zinc/50/77/13/543507713.db2.gz XLFUGKLJBUZIEY-QGZVFWFLSA-N 1 2 355.442 2.325 10 0 FEAELO CCC[C@@H](C(=O)OCC)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000114802895 543537574 /nfs/dbraw/zinc/53/75/74/543537574.db2.gz FMFUGCIEIZYLJA-KRWDZBQOSA-N 1 2 350.507 2.488 10 0 FEAELO CCC[C@@H](C(=O)OCC)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000114802895 543537576 /nfs/dbraw/zinc/53/75/76/543537576.db2.gz FMFUGCIEIZYLJA-KRWDZBQOSA-N 1 2 350.507 2.488 10 0 FEAELO COCc1ccc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000115389282 543564515 /nfs/dbraw/zinc/56/45/15/543564515.db2.gz NKZNOZDVMZBFKM-UHFFFAOYSA-N 1 2 356.470 2.141 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000115807416 543587201 /nfs/dbraw/zinc/58/72/01/543587201.db2.gz IUBDKMOJZIHMED-GOSISDBHSA-N 1 2 367.497 2.204 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)CSCC(=O)c2ccccc2)C[C@@H]1C ZINC000117283660 543627509 /nfs/dbraw/zinc/62/75/09/543627509.db2.gz VCMBGAZXRCVQLR-INIZCTEOSA-N 1 2 364.511 2.172 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)CSCC(=O)c2ccccc2)C[C@@H]1C ZINC000117283660 543627512 /nfs/dbraw/zinc/62/75/12/543627512.db2.gz VCMBGAZXRCVQLR-INIZCTEOSA-N 1 2 364.511 2.172 10 0 FEAELO Cc1ccc(CC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)s1 ZINC000117311766 543629847 /nfs/dbraw/zinc/62/98/47/543629847.db2.gz CKVRWUDZBIMSAL-QGZVFWFLSA-N 1 2 374.506 2.183 10 0 FEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC(Cn2cccn2)CC1 ZINC000124007524 543795944 /nfs/dbraw/zinc/79/59/44/543795944.db2.gz YWARQANKDYCLGD-UHFFFAOYSA-N 1 2 368.485 2.369 10 0 FEAELO Brc1ccccc1OCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000126680533 543950713 /nfs/dbraw/zinc/95/07/13/543950713.db2.gz AGNHWJOIKVMTKT-AWEZNQCLSA-N 1 2 366.259 2.425 10 0 FEAELO Brc1ccccc1OCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000126680533 543950716 /nfs/dbraw/zinc/95/07/16/543950716.db2.gz AGNHWJOIKVMTKT-AWEZNQCLSA-N 1 2 366.259 2.425 10 0 FEAELO Cc1cccc([C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)c2ccccn2)c1 ZINC000127474510 543995621 /nfs/dbraw/zinc/99/56/21/543995621.db2.gz DRQWUWKKSMIKDR-PKOBYXMFSA-N 1 2 354.454 2.109 10 0 FEAELO Cc1cccc([C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c2ccccn2)c1 ZINC000127474510 543995624 /nfs/dbraw/zinc/99/56/24/543995624.db2.gz DRQWUWKKSMIKDR-PKOBYXMFSA-N 1 2 354.454 2.109 10 0 FEAELO COc1ccc(OC)c(CCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000128962443 544083349 /nfs/dbraw/zinc/08/33/49/544083349.db2.gz WNDYCLYSQZPQPC-MRXNPFEDSA-N 1 2 372.469 2.500 10 0 FEAELO COc1ccc(OC)c(CCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000128962443 544083351 /nfs/dbraw/zinc/08/33/51/544083351.db2.gz WNDYCLYSQZPQPC-MRXNPFEDSA-N 1 2 372.469 2.500 10 0 FEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131595864 544196883 /nfs/dbraw/zinc/19/68/83/544196883.db2.gz PNFPXKYODRHKIP-CYBMUJFWSA-N 1 2 356.488 2.099 10 0 FEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000131595864 544196886 /nfs/dbraw/zinc/19/68/86/544196886.db2.gz PNFPXKYODRHKIP-CYBMUJFWSA-N 1 2 356.488 2.099 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[N@@H+]1CCOC ZINC000132552667 544235331 /nfs/dbraw/zinc/23/53/31/544235331.db2.gz LZMAITBFMQZGMO-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CC[N@H+]1CCOC ZINC000132552667 544235333 /nfs/dbraw/zinc/23/53/33/544235333.db2.gz LZMAITBFMQZGMO-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO O=C(NCC1(c2ccccc2Cl)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000134530340 544312172 /nfs/dbraw/zinc/31/21/72/544312172.db2.gz ODKGNPACGJHQQS-HNNXBMFYSA-N 1 2 363.889 2.488 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCC([C@H](O)c4nccn4C)CC3)[nH+]cn2)C1 ZINC000154865478 544959721 /nfs/dbraw/zinc/95/97/21/544959721.db2.gz VSVGIMLIRDWBFI-KXBFYZLASA-N 1 2 370.501 2.396 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCC([C@H](O)c4nccn4C)CC3)nc[nH+]2)C1 ZINC000154865478 544959727 /nfs/dbraw/zinc/95/97/27/544959727.db2.gz VSVGIMLIRDWBFI-KXBFYZLASA-N 1 2 370.501 2.396 10 0 FEAELO CCOCCN1CC[N@@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C[C@H]1C ZINC000155092903 544987706 /nfs/dbraw/zinc/98/77/06/544987706.db2.gz OYYIVJLYOQDOSU-MOPGFXCFSA-N 1 2 361.530 2.466 10 0 FEAELO CCOCCN1CC[N@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C[C@H]1C ZINC000155092903 544987709 /nfs/dbraw/zinc/98/77/09/544987709.db2.gz OYYIVJLYOQDOSU-MOPGFXCFSA-N 1 2 361.530 2.466 10 0 FEAELO CSCC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1nnc2ccccn21 ZINC000184600203 327874856 /nfs/dbraw/zinc/87/48/56/327874856.db2.gz GIRJPXDQHKEYSW-ZDUSSCGKSA-N 1 2 357.487 2.319 10 0 FEAELO CSCC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1nnc2ccccn21 ZINC000184600222 327874871 /nfs/dbraw/zinc/87/48/71/327874871.db2.gz GIRJPXDQHKEYSW-CYBMUJFWSA-N 1 2 357.487 2.319 10 0 FEAELO C[C@@H](NC(=O)NCc1cc(C(N)=O)co1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187351985 328018863 /nfs/dbraw/zinc/01/88/63/328018863.db2.gz QIOWJPQZNYDDIR-GFCCVEGCSA-N 1 2 353.382 2.125 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000188634025 328100137 /nfs/dbraw/zinc/10/01/37/328100137.db2.gz WDGZYERDPVRFJI-OAHLLOKOSA-N 1 2 359.392 2.481 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000188634025 328100138 /nfs/dbraw/zinc/10/01/38/328100138.db2.gz WDGZYERDPVRFJI-OAHLLOKOSA-N 1 2 359.392 2.481 10 0 FEAELO C[C@@H](NC(=O)N1CCC[C@@H](OCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189044032 328125478 /nfs/dbraw/zinc/12/54/78/328125478.db2.gz ZVPDOXUSHIVLSM-CRAIPNDOSA-N 1 2 358.442 2.116 10 0 FEAELO CCOc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1Br ZINC000189485200 328151081 /nfs/dbraw/zinc/15/10/81/328151081.db2.gz BBXPOFPCXVLLFN-LBPRGKRZSA-N 1 2 372.263 2.300 10 0 FEAELO CCOc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1Br ZINC000189485200 328151082 /nfs/dbraw/zinc/15/10/82/328151082.db2.gz BBXPOFPCXVLLFN-LBPRGKRZSA-N 1 2 372.263 2.300 10 0 FEAELO Cc1ccc(-n2cc(NC(=O)NC[C@@H](C)[NH+]3CCOCC3)cn2)c(C)c1 ZINC000189669514 328161072 /nfs/dbraw/zinc/16/10/72/328161072.db2.gz SIUWNQSLZGHZHF-MRXNPFEDSA-N 1 2 357.458 2.331 10 0 FEAELO COc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190768818 328231458 /nfs/dbraw/zinc/23/14/58/328231458.db2.gz VVTCPCWEMRQKFP-CYBMUJFWSA-N 1 2 362.817 2.175 10 0 FEAELO CC(=O)NC1C[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000191730200 328279031 /nfs/dbraw/zinc/27/90/31/328279031.db2.gz FHXMIAOIBAJJOB-VXKWHMMOSA-N 1 2 368.477 2.282 10 0 FEAELO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000191992433 328292189 /nfs/dbraw/zinc/29/21/89/328292189.db2.gz AZNCQFCHUNDEQR-CVEARBPZSA-N 1 2 353.507 2.037 10 0 FEAELO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@@H+](CC)CC(=O)[O-])CC1 ZINC000191992433 328292190 /nfs/dbraw/zinc/29/21/90/328292190.db2.gz AZNCQFCHUNDEQR-CVEARBPZSA-N 1 2 353.507 2.037 10 0 FEAELO C[C@@H]1CN(CC[NH+]2CCN(Cc3nc(-c4ccccc4)co3)CC2)CCO1 ZINC000192735435 328336167 /nfs/dbraw/zinc/33/61/67/328336167.db2.gz VHOAHKLBZWTTFS-GOSISDBHSA-N 1 2 370.497 2.180 10 0 FEAELO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000193357380 328370445 /nfs/dbraw/zinc/37/04/45/328370445.db2.gz UZQWTRMLQOCGEN-UKRRQHHQSA-N 1 2 350.463 2.162 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]nc3C(C)C)CC2)cn1 ZINC000193556539 328381657 /nfs/dbraw/zinc/38/16/57/328381657.db2.gz NMWSVUBXKZMLET-UHFFFAOYSA-N 1 2 358.490 2.488 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]nc3C(C)C)CC2)cn1 ZINC000193556539 328381658 /nfs/dbraw/zinc/38/16/58/328381658.db2.gz NMWSVUBXKZMLET-UHFFFAOYSA-N 1 2 358.490 2.488 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556450 328381668 /nfs/dbraw/zinc/38/16/68/328381668.db2.gz HLDXTUWDDOOWMX-UHFFFAOYSA-N 1 2 367.247 2.124 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cn1 ZINC000193556450 328381670 /nfs/dbraw/zinc/38/16/70/328381670.db2.gz HLDXTUWDDOOWMX-UHFFFAOYSA-N 1 2 367.247 2.124 10 0 FEAELO Cc1csc([C@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CCO2)n1 ZINC000194021496 328407239 /nfs/dbraw/zinc/40/72/39/328407239.db2.gz ICPHDFSNPPPLSG-OAHLLOKOSA-N 1 2 371.466 2.425 10 0 FEAELO C[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCOCC1 ZINC000033081549 324483060 /nfs/dbraw/zinc/48/30/60/324483060.db2.gz VSYBFLPJEIUPHA-CQSZACIVSA-N 1 2 373.478 2.451 10 0 FEAELO C[C@@H](CNC(=O)N(C)Cc1ccc(OC(F)F)cc1)[NH+]1CCOCC1 ZINC000046264157 324603015 /nfs/dbraw/zinc/60/30/15/324603015.db2.gz NSPKACLUSOOKQT-ZDUSSCGKSA-N 1 2 357.401 2.150 10 0 FEAELO Cc1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1I ZINC000226932166 328484461 /nfs/dbraw/zinc/48/44/61/328484461.db2.gz VDZJDOZGMIJIMV-UHFFFAOYSA-N 1 2 367.190 2.452 10 0 FEAELO Cc1nnc(CN2CC[NH+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)n1C ZINC000052776007 324723703 /nfs/dbraw/zinc/72/37/03/324723703.db2.gz IOWFVQPYQOJKDW-CQSZACIVSA-N 1 2 367.457 2.052 10 0 FEAELO C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471082 324946222 /nfs/dbraw/zinc/94/62/22/324946222.db2.gz HXHCRBROQWVAMB-KGLIPLIRSA-N 1 2 364.471 2.008 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000083066645 325212674 /nfs/dbraw/zinc/21/26/74/325212674.db2.gz FNOAJKDMNLXVSD-UONOGXRCSA-N 1 2 361.467 2.184 10 0 FEAELO CCN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1[nH+]ccn1CC ZINC000083066959 325212913 /nfs/dbraw/zinc/21/29/13/325212913.db2.gz JZWOGGQSGICVAV-UHFFFAOYSA-N 1 2 367.446 2.006 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000106137309 325585279 /nfs/dbraw/zinc/58/52/79/325585279.db2.gz CVPJKSJIFCKIJM-BLLLJJGKSA-N 1 2 366.412 2.322 10 0 FEAELO COc1cccc(CNC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000106373742 325595565 /nfs/dbraw/zinc/59/55/65/325595565.db2.gz JPJDNZCIHDNRNP-UHFFFAOYSA-N 1 2 356.470 2.227 10 0 FEAELO CCCCO[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)C1(C)C ZINC000245472408 328553093 /nfs/dbraw/zinc/55/30/93/328553093.db2.gz OZWMJLWJCJYGPJ-GVDBMIGSSA-N 1 2 355.523 2.332 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2 ZINC000112664710 325797059 /nfs/dbraw/zinc/79/70/59/325797059.db2.gz LXEMVULDYVKRGP-GFCCVEGCSA-N 1 2 350.463 2.341 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000115713905 325974393 /nfs/dbraw/zinc/97/43/93/325974393.db2.gz DUBMBVUCWDEVMZ-UHFFFAOYSA-N 1 2 355.486 2.061 10 0 FEAELO Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C2)cn1 ZINC000116417428 326012414 /nfs/dbraw/zinc/01/24/14/326012414.db2.gz JULQQODRRWZJDW-MRXNPFEDSA-N 1 2 354.458 2.114 10 0 FEAELO CCOC(=O)CCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116415551 326012732 /nfs/dbraw/zinc/01/27/32/326012732.db2.gz YMMYKVCIFYHTHQ-UHFFFAOYSA-N 1 2 368.503 2.012 10 0 FEAELO CCOC(=O)CCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116415551 326012735 /nfs/dbraw/zinc/01/27/35/326012735.db2.gz YMMYKVCIFYHTHQ-UHFFFAOYSA-N 1 2 368.503 2.012 10 0 FEAELO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116576169 326024984 /nfs/dbraw/zinc/02/49/84/326024984.db2.gz DQFUOTSTMVNEML-AWEZNQCLSA-N 1 2 351.366 2.163 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C[C@H]1CC ZINC000116771650 326033459 /nfs/dbraw/zinc/03/34/59/326033459.db2.gz DEGRMGJVUHIDLH-IQGLISFBSA-N 1 2 366.527 2.138 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cccc(C[S@](C)=O)c2)C[C@H]1CC ZINC000116771650 326033460 /nfs/dbraw/zinc/03/34/60/326033460.db2.gz DEGRMGJVUHIDLH-IQGLISFBSA-N 1 2 366.527 2.138 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[N@@H+]1CCOC ZINC000117372070 326059149 /nfs/dbraw/zinc/05/91/49/326059149.db2.gz ZSYNYADQNLHZAT-CYBMUJFWSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC[N@H+]1CCOC ZINC000117372070 326059151 /nfs/dbraw/zinc/05/91/51/326059151.db2.gz ZSYNYADQNLHZAT-CYBMUJFWSA-N 1 2 364.870 2.210 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119306256 326147819 /nfs/dbraw/zinc/14/78/19/326147819.db2.gz VLWIJPWKBSBHNK-UZLBHIALSA-N 1 2 374.485 2.386 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)N[C@@H](CO)CC(C)C)[NH+]2CCOCC2)s1 ZINC000119958956 326216196 /nfs/dbraw/zinc/21/61/96/326216196.db2.gz DIKXVFFQARMQQC-HZPDHXFCSA-N 1 2 369.531 2.136 10 0 FEAELO CCOc1ccnc(N2CC[NH+]([C@H](C)c3cc(C)c(C(=O)OC)o3)CC2)n1 ZINC000121014917 326306521 /nfs/dbraw/zinc/30/65/21/326306521.db2.gz NTHGIRCOCWJGHT-CQSZACIVSA-N 1 2 374.441 2.447 10 0 FEAELO CC(C)(C)n1cc(CN2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000121492180 326343020 /nfs/dbraw/zinc/34/30/20/326343020.db2.gz OGMLQQQRNVIFQL-UHFFFAOYSA-N 1 2 361.515 2.116 10 0 FEAELO Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(OCC2CC2)c1 ZINC000125391441 326470839 /nfs/dbraw/zinc/47/08/39/326470839.db2.gz RSFXCQMLBRSOHC-LJQANCHMSA-N 1 2 373.497 2.400 10 0 FEAELO CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000132261423 326589835 /nfs/dbraw/zinc/58/98/35/326589835.db2.gz DVIGSANFLWMTLY-GDBMZVCRSA-N 1 2 370.457 2.036 10 0 FEAELO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000155381079 326786508 /nfs/dbraw/zinc/78/65/08/326786508.db2.gz INQKPBGYJLTNFB-HOTGVXAUSA-N 1 2 371.403 2.276 10 0 FEAELO Cc1cnn(C[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CCO2)c1 ZINC000170999863 327111796 /nfs/dbraw/zinc/11/17/96/327111796.db2.gz LPARWNPSMSWGIZ-RDJZCZTQSA-N 1 2 356.474 2.123 10 0 FEAELO Cc1cnn(C[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)nc[nH+]3)CCO2)c1 ZINC000170999863 327111798 /nfs/dbraw/zinc/11/17/98/327111798.db2.gz LPARWNPSMSWGIZ-RDJZCZTQSA-N 1 2 356.474 2.123 10 0 FEAELO CCn1c(C)nnc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000171110376 327118959 /nfs/dbraw/zinc/11/89/59/327118959.db2.gz SCAJILFDEGDTIG-UHFFFAOYSA-N 1 2 353.430 2.431 10 0 FEAELO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cs2)cc1 ZINC000171525201 327143960 /nfs/dbraw/zinc/14/39/60/327143960.db2.gz SKNOVPGQSWSFSC-INIZCTEOSA-N 1 2 368.466 2.338 10 0 FEAELO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cncn4)C3)cs2)cc1 ZINC000171525201 327143961 /nfs/dbraw/zinc/14/39/61/327143961.db2.gz SKNOVPGQSWSFSC-INIZCTEOSA-N 1 2 368.466 2.338 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000171675324 327154209 /nfs/dbraw/zinc/15/42/09/327154209.db2.gz VQMMYCQYAIBAHR-UHFFFAOYSA-N 1 2 367.446 2.177 10 0 FEAELO CN(C)c1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000171704805 327156242 /nfs/dbraw/zinc/15/62/42/327156242.db2.gz APAVUSRYDNHGIZ-LBPRGKRZSA-N 1 2 360.380 2.224 10 0 FEAELO CN(C)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C(F)(F)F)c1 ZINC000171704805 327156244 /nfs/dbraw/zinc/15/62/44/327156244.db2.gz APAVUSRYDNHGIZ-LBPRGKRZSA-N 1 2 360.380 2.224 10 0 FEAELO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171797592 327161834 /nfs/dbraw/zinc/16/18/34/327161834.db2.gz XQSHVYYWQRTNBD-HKUYNNGSSA-N 1 2 366.465 2.374 10 0 FEAELO O=C(CCCOc1ccccc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172749865 327216607 /nfs/dbraw/zinc/21/66/07/327216607.db2.gz MSXBWYLLNOMHKW-HNNXBMFYSA-N 1 2 352.862 2.432 10 0 FEAELO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(C)n1-c1nccs1 ZINC000172753719 327216884 /nfs/dbraw/zinc/21/68/84/327216884.db2.gz JWGBSWZNAFYEIC-HNNXBMFYSA-N 1 2 360.483 2.097 10 0 FEAELO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757728 327217478 /nfs/dbraw/zinc/21/74/78/327217478.db2.gz KLXRPIGJYIDFOD-GOSISDBHSA-N 1 2 362.518 2.022 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(COC)cc2)nc[nH+]1 ZINC000173414285 327254761 /nfs/dbraw/zinc/25/47/61/327254761.db2.gz PMFCJJNXPXPJRU-MRXNPFEDSA-N 1 2 355.442 2.064 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(COC)cc2)[nH+]cn1 ZINC000173414285 327254762 /nfs/dbraw/zinc/25/47/62/327254762.db2.gz PMFCJJNXPXPJRU-MRXNPFEDSA-N 1 2 355.442 2.064 10 0 FEAELO Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173417694 327255007 /nfs/dbraw/zinc/25/50/07/327255007.db2.gz FPIZCCGAFWOJRM-RHSMWYFYSA-N 1 2 355.438 2.443 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CCc2cccs2)nc[nH+]1 ZINC000173426292 327255836 /nfs/dbraw/zinc/25/58/36/327255836.db2.gz LYMZPMIKSHCIRJ-AWEZNQCLSA-N 1 2 374.514 2.433 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CCc2cccs2)[nH+]cn1 ZINC000173426292 327255838 /nfs/dbraw/zinc/25/58/38/327255838.db2.gz LYMZPMIKSHCIRJ-AWEZNQCLSA-N 1 2 374.514 2.433 10 0 FEAELO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173621003 327271531 /nfs/dbraw/zinc/27/15/31/327271531.db2.gz RZYSDDXTVARGET-HZPDHXFCSA-N 1 2 355.486 2.321 10 0 FEAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000173628427 327272348 /nfs/dbraw/zinc/27/23/48/327272348.db2.gz AYRPLXCKSGXRNJ-QWHCGFSZSA-N 1 2 355.442 2.495 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)[NH+]2CCOCC2)s1 ZINC000173645614 327273393 /nfs/dbraw/zinc/27/33/93/327273393.db2.gz OAHZCBNAMPQGIS-MRXNPFEDSA-N 1 2 360.483 2.324 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](Cc3cc(=O)oc4c(C)c(C)ccc34)CCO2)[nH]1 ZINC000173669271 327275363 /nfs/dbraw/zinc/27/53/63/327275363.db2.gz BNUKYAVKIQPANJ-MRXNPFEDSA-N 1 2 354.410 2.410 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](Cc3cc(=O)oc4c(C)c(C)ccc34)CCO2)[nH]1 ZINC000173669271 327275365 /nfs/dbraw/zinc/27/53/65/327275365.db2.gz BNUKYAVKIQPANJ-MRXNPFEDSA-N 1 2 354.410 2.410 10 0 FEAELO COC(C)(C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000173784627 327284073 /nfs/dbraw/zinc/28/40/73/327284073.db2.gz MVUDNEAKVMYWAB-CQSZACIVSA-N 1 2 365.522 2.068 10 0 FEAELO CN(C)c1c(Cl)cccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173805145 327285469 /nfs/dbraw/zinc/28/54/69/327285469.db2.gz DBOZGQNTRJFHDL-CYBMUJFWSA-N 1 2 352.866 2.344 10 0 FEAELO O=C(Nc1ccc(OC(F)F)c(F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173824350 327286549 /nfs/dbraw/zinc/28/65/49/327286549.db2.gz XQXHOQGNRVDQSQ-LBPRGKRZSA-N 1 2 359.348 2.366 10 0 FEAELO Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)c21 ZINC000173908416 327293695 /nfs/dbraw/zinc/29/36/95/327293695.db2.gz BHLHWPAEFACXPV-QGZVFWFLSA-N 1 2 356.470 2.135 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CCC(=O)NCc1ccc(F)cc1 ZINC000173940947 327296214 /nfs/dbraw/zinc/29/62/14/327296214.db2.gz WIXQSXZGBVFMTQ-UHFFFAOYSA-N 1 2 367.446 2.224 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C[C@@H](C)O)[NH+]2CCOCC2)s1 ZINC000174990508 327366247 /nfs/dbraw/zinc/36/62/47/327366247.db2.gz JZGRLNMHHGCKQO-LZWOXQAQSA-N 1 2 369.531 2.136 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)N2CCCO[C@H](C)C2)c2cccs2)CCO1 ZINC000175028937 327369370 /nfs/dbraw/zinc/36/93/70/327369370.db2.gz IJOJULTYIJIUNE-XHSDSOJGSA-N 1 2 367.515 2.330 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)N2CCCO[C@H](C)C2)c2cccs2)CCO1 ZINC000175028937 327369371 /nfs/dbraw/zinc/36/93/71/327369371.db2.gz IJOJULTYIJIUNE-XHSDSOJGSA-N 1 2 367.515 2.330 10 0 FEAELO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000175193358 327379289 /nfs/dbraw/zinc/37/92/89/327379289.db2.gz UDIMLAFZZCZKQV-GOSISDBHSA-N 1 2 369.513 2.245 10 0 FEAELO CC(C)n1cnnc1-c1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000176321184 327448723 /nfs/dbraw/zinc/44/87/23/327448723.db2.gz RGPAWHBJASITPZ-OAHLLOKOSA-N 1 2 372.473 2.368 10 0 FEAELO O=C(N[C@@H]1CCCn2ncnc21)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000177347497 327515721 /nfs/dbraw/zinc/51/57/21/327515721.db2.gz VVPZLXMHNTXGDP-MRXNPFEDSA-N 1 2 374.876 2.294 10 0 FEAELO CCOc1ccc(NC(=O)CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177451304 327522988 /nfs/dbraw/zinc/52/29/88/327522988.db2.gz INKCPRZAYPJNHU-MRXNPFEDSA-N 1 2 371.441 2.095 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)n1C ZINC000177508932 327527399 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O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000263126737 549879528 /nfs/dbraw/zinc/87/95/28/549879528.db2.gz BHXWFVQLFBKWHA-UONOGXRCSA-N 1 2 361.396 2.175 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000263126737 549879530 /nfs/dbraw/zinc/87/95/30/549879530.db2.gz BHXWFVQLFBKWHA-UONOGXRCSA-N 1 2 361.396 2.175 10 0 FEAELO Cc1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000263306103 549893752 /nfs/dbraw/zinc/89/37/52/549893752.db2.gz XVQNQFYKPSEEQT-ZFWWWQNUSA-N 1 2 354.397 2.024 10 0 FEAELO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H]1CCc2c1cccc2OC ZINC000301651708 553669121 /nfs/dbraw/zinc/66/91/21/553669121.db2.gz QJXYHCKOTVHVOI-AWEZNQCLSA-N 1 2 353.382 2.107 10 0 FEAELO COC(=O)CSc1cncc(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000302238709 553712931 /nfs/dbraw/zinc/71/29/31/553712931.db2.gz WVLWRZMCPGGHBN-UHFFFAOYSA-N 1 2 361.471 2.161 10 0 FEAELO O=C(C[C@@H]1CCCCC(=O)N1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000427107600 559747901 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COc1ccc2c(c1)C=C(S(=O)(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CC2 ZINC000185850393 672535752 /nfs/dbraw/zinc/53/57/52/672535752.db2.gz QCMPTPDIDBGQJV-QGZVFWFLSA-N 1 2 362.495 2.482 10 0 FEAELO COc1ccc2c(c1)C=C(S(=O)(=O)N1CC[N@H+]3CCCC[C@@H]3C1)CC2 ZINC000185850393 672535756 /nfs/dbraw/zinc/53/57/56/672535756.db2.gz QCMPTPDIDBGQJV-QGZVFWFLSA-N 1 2 362.495 2.482 10 0 FEAELO CCc1nn(C)c(Cl)c1CN1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189199033 672610693 /nfs/dbraw/zinc/61/06/93/672610693.db2.gz RENVBJLTUXDENW-NSHDSACASA-N 1 2 368.831 2.067 10 0 FEAELO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245569325 672821147 /nfs/dbraw/zinc/82/11/47/672821147.db2.gz YMSHAPDOGDLIHV-KBPBESRZSA-N 1 2 356.413 2.091 10 0 FEAELO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245569325 672821152 /nfs/dbraw/zinc/82/11/52/672821152.db2.gz YMSHAPDOGDLIHV-KBPBESRZSA-N 1 2 356.413 2.091 10 0 FEAELO O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCO3)n1 ZINC000328641612 210122523 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CCOC(=O)C[N@@H+](C[C@H](O)COc1cccc(Br)c1)C(C)C ZINC000064246911 541196581 /nfs/dbraw/zinc/19/65/81/541196581.db2.gz VTTDXDMPLSUKGT-AWEZNQCLSA-N 1 2 374.275 2.462 10 0 FEAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000066896669 541388901 /nfs/dbraw/zinc/38/89/01/541388901.db2.gz RYOVLTPCPHFVOZ-SFHVURJKSA-N 1 2 374.481 2.204 10 0 FEAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CC(=O)N1CCC2(CC1)OCCO2 ZINC000066896669 541388903 /nfs/dbraw/zinc/38/89/03/541388903.db2.gz RYOVLTPCPHFVOZ-SFHVURJKSA-N 1 2 374.481 2.204 10 0 FEAELO CN(C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1nccs1 ZINC000076009030 542224408 /nfs/dbraw/zinc/22/44/08/542224408.db2.gz YKEKWUWVULDJLQ-LBPRGKRZSA-N 1 2 354.476 2.095 10 0 FEAELO CN(C(=O)C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C)c1nccs1 ZINC000076009030 542224413 /nfs/dbraw/zinc/22/44/13/542224413.db2.gz YKEKWUWVULDJLQ-LBPRGKRZSA-N 1 2 354.476 2.095 10 0 FEAELO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)N1CCCC1 ZINC000012091299 211395407 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CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000101563359 543033277 /nfs/dbraw/zinc/03/32/77/543033277.db2.gz VFPGVTUXUKQEME-OAHLLOKOSA-N 1 2 363.506 2.266 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000103478657 543111367 /nfs/dbraw/zinc/11/13/67/543111367.db2.gz CRAQJPMLRHMURO-MRXNPFEDSA-N 1 2 355.442 2.319 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000103478657 543111368 /nfs/dbraw/zinc/11/13/68/543111368.db2.gz CRAQJPMLRHMURO-MRXNPFEDSA-N 1 2 355.442 2.319 10 0 FEAELO CN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104798125 543144981 /nfs/dbraw/zinc/14/49/81/543144981.db2.gz MAZUSKIQVBOEEV-ZDUSSCGKSA-N 1 2 374.254 2.060 10 0 FEAELO CN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104798125 543144982 /nfs/dbraw/zinc/14/49/82/543144982.db2.gz MAZUSKIQVBOEEV-ZDUSSCGKSA-N 1 2 374.254 2.060 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000104798970 543145458 /nfs/dbraw/zinc/14/54/58/543145458.db2.gz MOILWTYVEFVKPU-FQEVSTJZSA-N 1 2 369.465 2.395 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(OCc3ccccc3)cc2)C1 ZINC000104798970 543145461 /nfs/dbraw/zinc/14/54/61/543145461.db2.gz MOILWTYVEFVKPU-FQEVSTJZSA-N 1 2 369.465 2.395 10 0 FEAELO COc1ccccc1NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084931 543193282 /nfs/dbraw/zinc/19/32/82/543193282.db2.gz LIILXTJZUBIRRX-UHFFFAOYSA-N 1 2 355.442 2.025 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)s1 ZINC000106091461 543194915 /nfs/dbraw/zinc/19/49/15/543194915.db2.gz QTFFPTQLMXGHAL-XHSDSOJGSA-N 1 2 364.559 2.462 10 0 FEAELO Cc1ncc(CN2CC[NH+]([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)s1 ZINC000106091461 543194916 /nfs/dbraw/zinc/19/49/16/543194916.db2.gz QTFFPTQLMXGHAL-XHSDSOJGSA-N 1 2 364.559 2.462 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@H](C)C(=O)NCc3ccccc3)CC2)n1 ZINC000106140262 543207177 /nfs/dbraw/zinc/20/71/77/543207177.db2.gz NNEWNSBJSOGQNI-CVEARBPZSA-N 1 2 371.485 2.016 10 0 FEAELO Cn1ccnc1COc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000106189558 543215539 /nfs/dbraw/zinc/21/55/39/543215539.db2.gz NMAGVHFWPWGTNH-IBGZPJMESA-N 1 2 367.453 2.097 10 0 FEAELO Cn1ccnc1COc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000106189558 543215540 /nfs/dbraw/zinc/21/55/40/543215540.db2.gz NMAGVHFWPWGTNH-IBGZPJMESA-N 1 2 367.453 2.097 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)CSCc3ccncc3)CC2)cn1 ZINC000109661826 543333259 /nfs/dbraw/zinc/33/32/59/543333259.db2.gz NZQBHALKOCHHTR-UHFFFAOYSA-N 1 2 373.526 2.266 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)CSCc3ccncc3)CC2)cn1 ZINC000109661826 543333260 /nfs/dbraw/zinc/33/32/60/543333260.db2.gz NZQBHALKOCHHTR-UHFFFAOYSA-N 1 2 373.526 2.266 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](OC)c3ccccc3)CC2)cn1 ZINC000109660522 543332349 /nfs/dbraw/zinc/33/23/49/543332349.db2.gz AOLCNNROJAXKRZ-LJQANCHMSA-N 1 2 356.470 2.325 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](OC)c3ccccc3)CC2)cn1 ZINC000109660522 543332352 /nfs/dbraw/zinc/33/23/52/543332352.db2.gz AOLCNNROJAXKRZ-LJQANCHMSA-N 1 2 356.470 2.325 10 0 FEAELO C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCS1 ZINC000111896525 543423917 /nfs/dbraw/zinc/42/39/17/543423917.db2.gz QCVRKYHBALXQTO-AEFFLSMTSA-N 1 2 363.527 2.077 10 0 FEAELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccc(N2CCOCC2)cc1 ZINC000114202658 543507639 /nfs/dbraw/zinc/50/76/39/543507639.db2.gz RDUGMBSPRUDSDG-IBGZPJMESA-N 1 2 369.469 2.412 10 0 FEAELO O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccc(N2CCOCC2)cc1 ZINC000114202658 543507641 /nfs/dbraw/zinc/50/76/41/543507641.db2.gz RDUGMBSPRUDSDG-IBGZPJMESA-N 1 2 369.469 2.412 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000117286280 543627686 /nfs/dbraw/zinc/62/76/86/543627686.db2.gz MREUPXDJJXAPAZ-MRXNPFEDSA-N 1 2 358.482 2.317 10 0 FEAELO COCC[N@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C[C@H]1C ZINC000117286280 543627688 /nfs/dbraw/zinc/62/76/88/543627688.db2.gz MREUPXDJJXAPAZ-MRXNPFEDSA-N 1 2 358.482 2.317 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000117368879 543630667 /nfs/dbraw/zinc/63/06/67/543630667.db2.gz LRNQVGVVWQAWCZ-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000117368879 543630669 /nfs/dbraw/zinc/63/06/69/543630669.db2.gz LRNQVGVVWQAWCZ-LBPRGKRZSA-N 1 2 364.870 2.210 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000117521509 543635401 /nfs/dbraw/zinc/63/54/01/543635401.db2.gz PCXIOXGYHFZGQL-AWEZNQCLSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000117521509 543635406 /nfs/dbraw/zinc/63/54/06/543635406.db2.gz PCXIOXGYHFZGQL-AWEZNQCLSA-N 1 2 367.877 2.156 10 0 FEAELO C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000123603962 543771791 /nfs/dbraw/zinc/77/17/91/543771791.db2.gz XHCRUPFHKQTCGW-CQSZACIVSA-N 1 2 368.393 2.312 10 0 FEAELO CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000126829380 543958368 /nfs/dbraw/zinc/95/83/68/543958368.db2.gz GLQLZRPCRXJYFH-SOLBZPMBSA-N 1 2 354.878 2.235 10 0 FEAELO CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126829380 543958370 /nfs/dbraw/zinc/95/83/70/543958370.db2.gz GLQLZRPCRXJYFH-SOLBZPMBSA-N 1 2 354.878 2.235 10 0 FEAELO CCC(CC)(C(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000128092995 544031986 /nfs/dbraw/zinc/03/19/86/544031986.db2.gz SEDIDKHKJFLIMO-QGZVFWFLSA-N 1 2 368.905 2.207 10 0 FEAELO CCc1nnc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)[nH]1 ZINC000129247096 544100243 /nfs/dbraw/zinc/10/02/43/544100243.db2.gz PJTZFGIETRYXKP-OAHLLOKOSA-N 1 2 356.405 2.470 10 0 FEAELO CCc1nnc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)[nH]1 ZINC000129247096 544100247 /nfs/dbraw/zinc/10/02/47/544100247.db2.gz PJTZFGIETRYXKP-OAHLLOKOSA-N 1 2 356.405 2.470 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC[C@]1(C)CCCO1 ZINC000133089573 544255294 /nfs/dbraw/zinc/25/52/94/544255294.db2.gz UOHDJRKBSJIRKX-QAPCUYQASA-N 1 2 367.515 2.332 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C1 ZINC000150802366 544473927 /nfs/dbraw/zinc/47/39/27/544473927.db2.gz KBJGLPZHJXHZJY-JTQLQIEISA-N 1 2 358.320 2.299 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C1 ZINC000150802366 544473932 /nfs/dbraw/zinc/47/39/32/544473932.db2.gz KBJGLPZHJXHZJY-JTQLQIEISA-N 1 2 358.320 2.299 10 0 FEAELO COCCC1(CNC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)CC1 ZINC000151535847 544553519 /nfs/dbraw/zinc/55/35/19/544553519.db2.gz HICDYKMVQKPXDA-UHFFFAOYSA-N 1 2 366.531 2.486 10 0 FEAELO COCCC1(CNC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)CC1 ZINC000151535847 544553522 /nfs/dbraw/zinc/55/35/22/544553522.db2.gz HICDYKMVQKPXDA-UHFFFAOYSA-N 1 2 366.531 2.486 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Sc2ccccn2)nc[nH+]1 ZINC000152459253 544656343 /nfs/dbraw/zinc/65/63/43/544656343.db2.gz BPVGAMVAPNOISM-KGLIPLIRSA-N 1 2 372.498 2.179 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C)Sc2ccccn2)[nH+]cn1 ZINC000152459253 544656348 /nfs/dbraw/zinc/65/63/48/544656348.db2.gz BPVGAMVAPNOISM-KGLIPLIRSA-N 1 2 372.498 2.179 10 0 FEAELO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152304400 544636437 /nfs/dbraw/zinc/63/64/37/544636437.db2.gz QOPDUKMSPUHIOF-GOSISDBHSA-N 1 2 354.410 2.132 10 0 FEAELO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000152304400 544636441 /nfs/dbraw/zinc/63/64/41/544636441.db2.gz QOPDUKMSPUHIOF-GOSISDBHSA-N 1 2 354.410 2.132 10 0 FEAELO CC(C)c1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)nn1-c1ccccc1 ZINC000155124456 544992467 /nfs/dbraw/zinc/99/24/67/544992467.db2.gz WUOUCJWGKMTAJG-MRXNPFEDSA-N 1 2 356.470 2.446 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000155204639 545001368 /nfs/dbraw/zinc/00/13/68/545001368.db2.gz WWPAJODXZQAWCO-ICSRJNTNSA-N 1 2 370.497 2.330 10 0 FEAELO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000155204639 545001371 /nfs/dbraw/zinc/00/13/71/545001371.db2.gz WWPAJODXZQAWCO-ICSRJNTNSA-N 1 2 370.497 2.330 10 0 FEAELO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2O)C[C@H]1[NH+]1CCOCC1 ZINC000180612239 327693640 /nfs/dbraw/zinc/69/36/40/327693640.db2.gz VIUHNFMBSIJJBQ-SMDDNHRTSA-N 1 2 358.360 2.204 10 0 FEAELO Cc1ccccc1-n1nccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000182280513 327768891 /nfs/dbraw/zinc/76/88/91/327768891.db2.gz FRZMKMYOYZWUHZ-MRXNPFEDSA-N 1 2 355.442 2.119 10 0 FEAELO C[C@H](CNC(=O)c1csc(Cc2cccc(F)c2)n1)[NH+]1CCOCC1 ZINC000183227671 327807867 /nfs/dbraw/zinc/80/78/67/327807867.db2.gz MKYRRQICNAPTDB-CYBMUJFWSA-N 1 2 363.458 2.324 10 0 FEAELO C[C@@H](OC[C@H](O)C[NH+]1CC(NC(=O)C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185938573 327939906 /nfs/dbraw/zinc/93/99/06/327939906.db2.gz DCQYYOFYRWWYJQ-FZKQIMNGSA-N 1 2 366.889 2.379 10 0 FEAELO Fc1ccc(Cn2cc(C[N@@H+]3CCO[C@H](Cn4cccn4)C3)cn2)cc1 ZINC000187235774 328010323 /nfs/dbraw/zinc/01/03/23/328010323.db2.gz UXDFVQLCVBKPGS-IBGZPJMESA-N 1 2 355.417 2.168 10 0 FEAELO Fc1ccc(Cn2cc(C[N@H+]3CCO[C@H](Cn4cccn4)C3)cn2)cc1 ZINC000187235774 328010324 /nfs/dbraw/zinc/01/03/24/328010324.db2.gz UXDFVQLCVBKPGS-IBGZPJMESA-N 1 2 355.417 2.168 10 0 FEAELO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1 ZINC000187382115 328021427 /nfs/dbraw/zinc/02/14/27/328021427.db2.gz RDEVOHUQUMVRDP-DLBZAZTESA-N 1 2 356.470 2.480 10 0 FEAELO C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000187987377 328058494 /nfs/dbraw/zinc/05/84/94/328058494.db2.gz IWPLSBNQGLIYBX-IUODEOHRSA-N 1 2 359.392 2.439 10 0 FEAELO C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000187987377 328058495 /nfs/dbraw/zinc/05/84/95/328058495.db2.gz IWPLSBNQGLIYBX-IUODEOHRSA-N 1 2 359.392 2.439 10 0 FEAELO COC(=O)CCCCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000188905930 328117129 /nfs/dbraw/zinc/11/71/29/328117129.db2.gz ODDBMQBIRYVIEQ-CABCVRRESA-N 1 2 368.499 2.360 10 0 FEAELO COC(=O)CCCCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000188905930 328117131 /nfs/dbraw/zinc/11/71/31/328117131.db2.gz ODDBMQBIRYVIEQ-CABCVRRESA-N 1 2 368.499 2.360 10 0 FEAELO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000189302542 328139766 /nfs/dbraw/zinc/13/97/66/328139766.db2.gz QYIQVAAVIXBBCU-LLVKDONJSA-N 1 2 358.269 2.162 10 0 FEAELO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000189302542 328139768 /nfs/dbraw/zinc/13/97/68/328139768.db2.gz QYIQVAAVIXBBCU-LLVKDONJSA-N 1 2 358.269 2.162 10 0 FEAELO CCc1nnc(C[N@@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)n1C ZINC000190501398 328212090 /nfs/dbraw/zinc/21/20/90/328212090.db2.gz UUHPRHRWNURNFQ-HNNXBMFYSA-N 1 2 365.522 2.006 10 0 FEAELO CCc1nnc(C[N@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)n1C ZINC000190501398 328212092 /nfs/dbraw/zinc/21/20/92/328212092.db2.gz UUHPRHRWNURNFQ-HNNXBMFYSA-N 1 2 365.522 2.006 10 0 FEAELO CCn1cc([C@H]2C[N@H+](Cc3cc(OC)c4c(c3)OCCO4)CCO2)cn1 ZINC000191696752 328277741 /nfs/dbraw/zinc/27/77/41/328277741.db2.gz DHNZVALZLBPFAU-GOSISDBHSA-N 1 2 359.426 2.256 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](Cc3cc(OC)c4c(c3)OCCO4)CCO2)cn1 ZINC000191696752 328277743 /nfs/dbraw/zinc/27/77/43/328277743.db2.gz DHNZVALZLBPFAU-GOSISDBHSA-N 1 2 359.426 2.256 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3cccnc3)CCO2)cn1 ZINC000191707850 328278006 /nfs/dbraw/zinc/27/80/06/328278006.db2.gz HEOMDCMPYMVNMR-SFHVURJKSA-N 1 2 352.442 2.272 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3cccnc3)CCO2)cn1 ZINC000191707850 328278007 /nfs/dbraw/zinc/27/80/07/328278007.db2.gz HEOMDCMPYMVNMR-SFHVURJKSA-N 1 2 352.442 2.272 10 0 FEAELO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000191738713 328279495 /nfs/dbraw/zinc/27/94/95/328279495.db2.gz ARHBOIMXKPFKPX-JKSUJKDBSA-N 1 2 361.486 2.042 10 0 FEAELO CCOCC[N@@H+]1CCN(c2ccccc2S(=O)(=O)CC)C[C@H]1CC ZINC000191813448 328283419 /nfs/dbraw/zinc/28/34/19/328283419.db2.gz QXCACJNPEJFSLC-MRXNPFEDSA-N 1 2 354.516 2.417 10 0 FEAELO CCOCC[N@H+]1CCN(c2ccccc2S(=O)(=O)CC)C[C@H]1CC ZINC000191813448 328283420 /nfs/dbraw/zinc/28/34/20/328283420.db2.gz QXCACJNPEJFSLC-MRXNPFEDSA-N 1 2 354.516 2.417 10 0 FEAELO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000191738713 328279494 /nfs/dbraw/zinc/27/94/94/328279494.db2.gz ARHBOIMXKPFKPX-JKSUJKDBSA-N 1 2 361.486 2.042 10 0 FEAELO C[C@H](c1nnnn1C1CC1)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000192006860 328293751 /nfs/dbraw/zinc/29/37/51/328293751.db2.gz VWUMRCFKOMROKQ-HIFRSBDPSA-N 1 2 362.503 2.136 10 0 FEAELO C[C@H](c1nnnn1C1CC1)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000192006860 328293752 /nfs/dbraw/zinc/29/37/52/328293752.db2.gz VWUMRCFKOMROKQ-HIFRSBDPSA-N 1 2 362.503 2.136 10 0 FEAELO C[C@H](c1nnnn1C1CC1)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000192006860 328293753 /nfs/dbraw/zinc/29/37/53/328293753.db2.gz VWUMRCFKOMROKQ-HIFRSBDPSA-N 1 2 362.503 2.136 10 0 FEAELO CCc1cc(C(=O)N2CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000192102186 328299740 /nfs/dbraw/zinc/29/97/40/328299740.db2.gz NTJDABFFMWTKKV-UHFFFAOYSA-N 1 2 364.490 2.240 10 0 FEAELO CCc1cc(C(=O)N2CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000192102186 328299742 /nfs/dbraw/zinc/29/97/42/328299742.db2.gz NTJDABFFMWTKKV-UHFFFAOYSA-N 1 2 364.490 2.240 10 0 FEAELO CC1(C)Cc2cccc(S(=O)(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2O1 ZINC000192644311 328330241 /nfs/dbraw/zinc/33/02/41/328330241.db2.gz OKKWPZYDCNFTQW-OAHLLOKOSA-N 1 2 373.478 2.352 10 0 FEAELO CCc1nnc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)n1C ZINC000195072630 328454841 /nfs/dbraw/zinc/45/48/41/328454841.db2.gz SLWNMLKZAFRGQA-UHFFFAOYSA-N 1 2 357.458 2.237 10 0 FEAELO CCc1nnc(CN2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1C ZINC000195074431 328454900 /nfs/dbraw/zinc/45/49/00/328454900.db2.gz ZLTODVMNBDDRSZ-UHFFFAOYSA-N 1 2 351.857 2.488 10 0 FEAELO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000054566210 324762050 /nfs/dbraw/zinc/76/20/50/324762050.db2.gz NTODFMKUNLDROC-IEBWSBKVSA-N 1 2 361.486 2.098 10 0 FEAELO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)c1cccc(F)c1 ZINC000081473902 325177708 /nfs/dbraw/zinc/17/77/08/325177708.db2.gz RDTOWONNKYWJGL-DJIMGWMZSA-N 1 2 360.433 2.499 10 0 FEAELO CN(C)c1nc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2o1 ZINC000089272519 325309959 /nfs/dbraw/zinc/30/99/59/325309959.db2.gz JHCQZMWGWGUDDK-HNNXBMFYSA-N 1 2 373.457 2.222 10 0 FEAELO CC(C)(C)c1cc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)[nH]n1 ZINC000114691706 325913054 /nfs/dbraw/zinc/91/30/54/325913054.db2.gz FLZAICLJCCDVFD-KRWDZBQOSA-N 1 2 356.470 2.199 10 0 FEAELO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116576172 326025016 /nfs/dbraw/zinc/02/50/16/326025016.db2.gz DQFUOTSTMVNEML-CQSZACIVSA-N 1 2 351.366 2.163 10 0 FEAELO O=C(CCc1ccsc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117311920 326056637 /nfs/dbraw/zinc/05/66/37/326056637.db2.gz AXWJLQQYBKUBLK-SFHVURJKSA-N 1 2 374.506 2.265 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC000117371717 326059424 /nfs/dbraw/zinc/05/94/24/326059424.db2.gz KGBFOMPZTOBWSN-NSHDSACASA-N 1 2 352.909 2.133 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CC[N@H+]1CCOC ZINC000117371717 326059427 /nfs/dbraw/zinc/05/94/27/326059427.db2.gz KGBFOMPZTOBWSN-NSHDSACASA-N 1 2 352.909 2.133 10 0 FEAELO C[C@@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)c1cccs1 ZINC000119165569 326133221 /nfs/dbraw/zinc/13/32/21/326133221.db2.gz ODCQNLPPRBIMFB-IAGOWNOFSA-N 1 2 374.506 2.436 10 0 FEAELO CCOC(=O)C(C)(C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000120070630 326227667 /nfs/dbraw/zinc/22/76/67/326227667.db2.gz RABVNHMBZMQYPO-AWEZNQCLSA-N 1 2 368.499 2.135 10 0 FEAELO Cc1nc(CC(C)C)c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000121360018 326332703 /nfs/dbraw/zinc/33/27/03/326332703.db2.gz MAXPYSIHUPCFOS-CZUORRHYSA-N 1 2 351.516 2.443 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1 ZINC000121508055 326343951 /nfs/dbraw/zinc/34/39/51/326343951.db2.gz BDMSREMRJQCFBI-UHFFFAOYSA-N 1 2 358.442 2.215 10 0 FEAELO CCOc1cc(C)nc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000121536892 326345828 /nfs/dbraw/zinc/34/58/28/326345828.db2.gz QSJSIKROHLZVLT-UHFFFAOYSA-N 1 2 358.490 2.457 10 0 FEAELO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000121576495 326349171 /nfs/dbraw/zinc/34/91/71/326349171.db2.gz OCSVSVCTZWITSY-JZXOWHBKSA-N 1 2 359.470 2.346 10 0 FEAELO CC(C)c1nc(C2([NH2+]C[C@@H](O)COC3CCOCC3)CCCC2)no1 ZINC000122418082 326396097 /nfs/dbraw/zinc/39/60/97/326396097.db2.gz SWFTYRWIPIFUHS-CQSZACIVSA-N 1 2 353.463 2.108 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc(OC)c1OC ZINC000122475703 326398334 /nfs/dbraw/zinc/39/83/34/326398334.db2.gz UPXPFMMSRVVQMR-MRXNPFEDSA-N 1 2 361.442 2.118 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc(OC)c1OC ZINC000122475703 326398335 /nfs/dbraw/zinc/39/83/35/326398335.db2.gz UPXPFMMSRVVQMR-MRXNPFEDSA-N 1 2 361.442 2.118 10 0 FEAELO CN1C(=O)C[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000122579567 326402143 /nfs/dbraw/zinc/40/21/43/326402143.db2.gz WDKJOVFXLZFLOW-HKUYNNGSSA-N 1 2 370.428 2.405 10 0 FEAELO Cc1ccc([C@H](C)NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000133640052 326612345 /nfs/dbraw/zinc/61/23/45/326612345.db2.gz MWBZFWLPXRZMPU-INIZCTEOSA-N 1 2 370.453 2.289 10 0 FEAELO CC(C)Cc1nnc(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)s1 ZINC000137192793 326658767 /nfs/dbraw/zinc/65/87/67/326658767.db2.gz IIZADJJOFONUOT-UHFFFAOYSA-N 1 2 362.503 2.284 10 0 FEAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000153709017 326740414 /nfs/dbraw/zinc/74/04/14/326740414.db2.gz DWOPYHHMTMHTAE-HNNXBMFYSA-N 1 2 369.473 2.039 10 0 FEAELO CCCn1nccc1NC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000154028738 326749511 /nfs/dbraw/zinc/74/95/11/326749511.db2.gz GVIWVYVSOJMYAL-CQSZACIVSA-N 1 2 366.425 2.295 10 0 FEAELO Cc1cccc2c(O)c(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)cnc12 ZINC000164234558 327066991 /nfs/dbraw/zinc/06/69/91/327066991.db2.gz WEMLKJDKXAMLQO-RHSMWYFYSA-N 1 2 355.438 2.042 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cncc(OC(C)C)c2)nc[nH+]1 ZINC000164435135 327070067 /nfs/dbraw/zinc/07/00/67/327070067.db2.gz YPCGCLOREBJRTE-OAHLLOKOSA-N 1 2 370.457 2.099 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cncc(OC(C)C)c2)[nH+]cn1 ZINC000164435135 327070069 /nfs/dbraw/zinc/07/00/69/327070069.db2.gz YPCGCLOREBJRTE-OAHLLOKOSA-N 1 2 370.457 2.099 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cncc(OC(C)C)c2)nc[nH+]1 ZINC000164435013 327070178 /nfs/dbraw/zinc/07/01/78/327070178.db2.gz YPCGCLOREBJRTE-HNNXBMFYSA-N 1 2 370.457 2.099 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cncc(OC(C)C)c2)[nH+]cn1 ZINC000164435013 327070179 /nfs/dbraw/zinc/07/01/79/327070179.db2.gz YPCGCLOREBJRTE-HNNXBMFYSA-N 1 2 370.457 2.099 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1cccnc1)[NH+]1CCOCC1 ZINC000170892045 327105724 /nfs/dbraw/zinc/10/57/24/327105724.db2.gz CFYKXXYRTDMCCP-LPHOPBHVSA-N 1 2 354.454 2.191 10 0 FEAELO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171412165 327137944 /nfs/dbraw/zinc/13/79/44/327137944.db2.gz NVKPUZFEYMBVAL-SFHVURJKSA-N 1 2 369.469 2.334 10 0 FEAELO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171412165 327137945 /nfs/dbraw/zinc/13/79/45/327137945.db2.gz NVKPUZFEYMBVAL-SFHVURJKSA-N 1 2 369.469 2.334 10 0 FEAELO COc1cccc2sc(NC(=O)C[N@@H+]3CCC[C@H](n4cncn4)C3)nc21 ZINC000171525963 327143973 /nfs/dbraw/zinc/14/39/73/327143973.db2.gz YJNPKFOSVFZMHJ-LBPRGKRZSA-N 1 2 372.454 2.172 10 0 FEAELO COc1cccc2sc(NC(=O)C[N@H+]3CCC[C@H](n4cncn4)C3)nc21 ZINC000171525963 327143974 /nfs/dbraw/zinc/14/39/74/327143974.db2.gz YJNPKFOSVFZMHJ-LBPRGKRZSA-N 1 2 372.454 2.172 10 0 FEAELO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1C ZINC000171654054 327151957 /nfs/dbraw/zinc/15/19/57/327151957.db2.gz BHQAFDVDMAYJPG-AWEZNQCLSA-N 1 2 374.441 2.247 10 0 FEAELO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1C ZINC000171654054 327151958 /nfs/dbraw/zinc/15/19/58/327151958.db2.gz BHQAFDVDMAYJPG-AWEZNQCLSA-N 1 2 374.441 2.247 10 0 FEAELO Cc1ccc([C@H](CNc2ncnc3c2cnn3C)[NH+]2CCOCC2)s1 ZINC000171986924 327174567 /nfs/dbraw/zinc/17/45/67/327174567.db2.gz REDZHEJYPWOGKH-AWEZNQCLSA-N 1 2 358.471 2.219 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)cs1 ZINC000172138508 327183355 /nfs/dbraw/zinc/18/33/55/327183355.db2.gz BLHPMFMWCXWAKS-SFHVURJKSA-N 1 2 357.479 2.490 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)cs1 ZINC000172138508 327183357 /nfs/dbraw/zinc/18/33/57/327183357.db2.gz BLHPMFMWCXWAKS-SFHVURJKSA-N 1 2 357.479 2.490 10 0 FEAELO O=C(Cc1csc(Cc2ccccc2)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743881 327216419 /nfs/dbraw/zinc/21/64/19/327216419.db2.gz GAYGHVYZDDYPPW-SFHVURJKSA-N 1 2 371.506 2.210 10 0 FEAELO Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172750992 327216886 /nfs/dbraw/zinc/21/68/86/327216886.db2.gz KORYKSGREHNZAO-QGZVFWFLSA-N 1 2 355.438 2.126 10 0 FEAELO O=C(CCc1ncc(-c2ccccc2)o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750940 327217034 /nfs/dbraw/zinc/21/70/34/327217034.db2.gz KCWGDXMFQFCEAA-KRWDZBQOSA-N 1 2 355.438 2.207 10 0 FEAELO Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172768500 327217822 /nfs/dbraw/zinc/21/78/22/327217822.db2.gz BDHZDNKFFHCAKU-HNNXBMFYSA-N 1 2 361.467 2.187 10 0 FEAELO O=C(COc1ccc(C(F)(F)F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172767453 327217847 /nfs/dbraw/zinc/21/78/47/327217847.db2.gz IKVNAMALYREJPQ-CQSZACIVSA-N 1 2 358.360 2.017 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@H](C)c2cccnc2)nc[nH+]1 ZINC000173423001 327255559 /nfs/dbraw/zinc/25/55/59/327255559.db2.gz SKZJKWLRIYWTFN-GDBMZVCRSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@H](C)c2cccnc2)[nH+]cn1 ZINC000173423001 327255560 /nfs/dbraw/zinc/25/55/60/327255560.db2.gz SKZJKWLRIYWTFN-GDBMZVCRSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)COc2c(C)cccc2C)nc[nH+]1 ZINC000173424258 327255568 /nfs/dbraw/zinc/25/55/68/327255568.db2.gz JWQGFRZNRDGVPF-MRXNPFEDSA-N 1 2 369.469 2.299 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)COc2c(C)cccc2C)[nH+]cn1 ZINC000173424258 327255569 /nfs/dbraw/zinc/25/55/69/327255569.db2.gz JWQGFRZNRDGVPF-MRXNPFEDSA-N 1 2 369.469 2.299 10 0 FEAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173436442 327256827 /nfs/dbraw/zinc/25/68/27/327256827.db2.gz MEAKANUAJOXTMF-INIZCTEOSA-N 1 2 367.457 2.373 10 0 FEAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc(N(C)C)cc1 ZINC000173622125 327271791 /nfs/dbraw/zinc/27/17/91/327271791.db2.gz QXDPQSLWDQAUES-KBPBESRZSA-N 1 2 356.474 2.358 10 0 FEAELO O=C(NCc1cccc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173764563 327282418 /nfs/dbraw/zinc/28/24/18/327282418.db2.gz LSLAMBODRPFDAO-HNNXBMFYSA-N 1 2 357.376 2.322 10 0 FEAELO O=C(NCc1cccc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173764574 327282484 /nfs/dbraw/zinc/28/24/84/327282484.db2.gz LSLAMBODRPFDAO-OAHLLOKOSA-N 1 2 357.376 2.322 10 0 FEAELO C[C@H](OCCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173769334 327282640 /nfs/dbraw/zinc/28/26/40/327282640.db2.gz UVHUGSIROLEERO-PKOBYXMFSA-N 1 2 361.486 2.270 10 0 FEAELO CC(C)COc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173782558 327283808 /nfs/dbraw/zinc/28/38/08/327283808.db2.gz QIVKGVSMCSNTQG-SFHVURJKSA-N 1 2 361.486 2.338 10 0 FEAELO Cc1ccccc1[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)[C@H](C)CO1 ZINC000173826115 327286780 /nfs/dbraw/zinc/28/67/80/327286780.db2.gz BHYQQVUKZFRCQA-LMMKCTJWSA-N 1 2 361.486 2.187 10 0 FEAELO Cc1cc(-n2c(C)cc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2C)no1 ZINC000173829071 327287287 /nfs/dbraw/zinc/28/72/87/327287287.db2.gz YZPQKVMDAFHFDT-UGSOOPFHSA-N 1 2 372.469 2.183 10 0 FEAELO Cc1ccc(-c2ocnc2C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173834603 327287660 /nfs/dbraw/zinc/28/76/60/327287660.db2.gz AXTXHIHVIMQWQZ-WBVHZDCISA-N 1 2 355.438 2.443 10 0 FEAELO C[C@@H]1CN(C(=O)CCC(=O)c2ccc(Cl)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173838857 327288097 /nfs/dbraw/zinc/28/80/97/327288097.db2.gz SEFCHIUKTWGZKC-RHSMWYFYSA-N 1 2 364.873 2.482 10 0 FEAELO C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000173917330 327294228 /nfs/dbraw/zinc/29/42/28/327294228.db2.gz OIBLBYJTOZTQMT-OAHLLOKOSA-N 1 2 373.416 2.460 10 0 FEAELO C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938914 327296192 /nfs/dbraw/zinc/29/61/92/327296192.db2.gz NYOHRGLZTQMPJX-MRXNPFEDSA-N 1 2 362.433 2.408 10 0 FEAELO CC(C)NC(=O)Nc1cccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173964522 327298150 /nfs/dbraw/zinc/29/81/50/327298150.db2.gz HEZFEXKCXNREOI-MAUKXSAKSA-N 1 2 374.485 2.009 10 0 FEAELO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)n1-c1nccs1 ZINC000173964845 327298160 /nfs/dbraw/zinc/29/81/60/327298160.db2.gz AOBZGHJJLKDNDA-CXAGYDPISA-N 1 2 374.510 2.343 10 0 FEAELO CC(C)c1ncc(Cl)c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000173969689 327298896 /nfs/dbraw/zinc/29/88/96/327298896.db2.gz PVOMSZRHXSXWFY-JSGCOSHPSA-N 1 2 352.866 2.046 10 0 FEAELO C[C@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000174850503 327355103 /nfs/dbraw/zinc/35/51/03/327355103.db2.gz WDCLLDOUCBTVMJ-IRXDYDNUSA-N 1 2 365.543 2.454 10 0 FEAELO C[C@H]1CCCCN1C(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000174850503 327355104 /nfs/dbraw/zinc/35/51/04/327355104.db2.gz WDCLLDOUCBTVMJ-IRXDYDNUSA-N 1 2 365.543 2.454 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCOC(C)(C)C2)c2cccs2)CCO1 ZINC000175048088 327370707 /nfs/dbraw/zinc/37/07/07/327370707.db2.gz MWICGCSTPUAHDA-CABCVRRESA-N 1 2 367.515 2.330 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCOC(C)(C)C2)c2cccs2)CCO1 ZINC000175048088 327370708 /nfs/dbraw/zinc/37/07/08/327370708.db2.gz MWICGCSTPUAHDA-CABCVRRESA-N 1 2 367.515 2.330 10 0 FEAELO Cc1ccc([C@H](CNC(=O)Cc2ccccc2O)[NH+]2CCOCC2)s1 ZINC000176555681 327462941 /nfs/dbraw/zinc/46/29/41/327462941.db2.gz WRIUMUQAVUIEHR-INIZCTEOSA-N 1 2 360.479 2.494 10 0 FEAELO CC(C)CC(=O)N1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177474338 327525128 /nfs/dbraw/zinc/52/51/28/327525128.db2.gz QUOHTHPUSVNTEI-QGZVFWFLSA-N 1 2 361.490 2.094 10 0 FEAELO O=C(N[C@@H]1CCCn2ncnc21)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000177528299 327528438 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352.307 2.063 10 0 FEAELO Cc1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000263306101 328931826 /nfs/dbraw/zinc/93/18/26/328931826.db2.gz XVQNQFYKPSEEQT-HIFRSBDPSA-N 1 2 354.397 2.024 10 0 FEAELO CCc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1S(C)(=O)=O ZINC000157510179 545750448 /nfs/dbraw/zinc/75/04/48/545750448.db2.gz RFIGMRGRZWPQQW-MRXNPFEDSA-N 1 2 361.467 2.154 10 0 FEAELO O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000157951191 545804680 /nfs/dbraw/zinc/80/46/80/545804680.db2.gz HSZJWTOSHHLFON-KRWDZBQOSA-N 1 2 373.432 2.009 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)c2c(C)noc2C)nc[nH+]1 ZINC000173447487 546281107 /nfs/dbraw/zinc/28/11/07/546281107.db2.gz ZQEYLHUWJXQEOE-BXUZGUMPSA-N 1 2 358.446 2.012 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)c2c(C)noc2C)[nH+]cn1 ZINC000173447487 546281110 /nfs/dbraw/zinc/28/11/10/546281110.db2.gz ZQEYLHUWJXQEOE-BXUZGUMPSA-N 1 2 358.446 2.012 10 0 FEAELO CC(C)c1nc(C2([NH2+]C[C@H](O)COC[C@H]3CCCO3)CCCC2)no1 ZINC000174240208 546294001 /nfs/dbraw/zinc/29/40/01/546294001.db2.gz RRQWBUVCDGEYHO-LSDHHAIUSA-N 1 2 353.463 2.108 10 0 FEAELO Cc1noc(C)c1CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176581833 546464369 /nfs/dbraw/zinc/46/43/69/546464369.db2.gz KSBSSHPWNIAOES-WBMJQRKESA-N 1 2 363.483 2.474 10 0 FEAELO Cc1noc(C)c1CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176581833 546464373 /nfs/dbraw/zinc/46/43/73/546464373.db2.gz KSBSSHPWNIAOES-WBMJQRKESA-N 1 2 363.483 2.474 10 0 FEAELO COc1ncccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176586362 546465171 /nfs/dbraw/zinc/46/51/71/546465171.db2.gz RMWSKJVOILYGTO-HIFRSBDPSA-N 1 2 361.467 2.344 10 0 FEAELO COc1ncccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176586362 546465174 /nfs/dbraw/zinc/46/51/74/546465174.db2.gz RMWSKJVOILYGTO-HIFRSBDPSA-N 1 2 361.467 2.344 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCc1ccccn1 ZINC000176924675 546508993 /nfs/dbraw/zinc/50/89/93/546508993.db2.gz GBXWYTFFJLIDBX-MRXNPFEDSA-N 1 2 360.483 2.358 10 0 FEAELO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCS[C@@H](C)C3)cs2)c1C ZINC000177120657 546548564 /nfs/dbraw/zinc/54/85/64/546548564.db2.gz RLZWHJLMYNABOO-JTQLQIEISA-N 1 2 350.513 2.458 10 0 FEAELO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCS[C@@H](C)C3)cs2)c1C ZINC000177120657 546548576 /nfs/dbraw/zinc/54/85/76/546548576.db2.gz RLZWHJLMYNABOO-JTQLQIEISA-N 1 2 350.513 2.458 10 0 FEAELO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCN3CCCC[C@@H]3C2)cc1F ZINC000177766687 546683032 /nfs/dbraw/zinc/68/30/32/546683032.db2.gz HRCZHROESJVDGT-DOTOQJQBSA-N 1 2 363.477 2.351 10 0 FEAELO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCN3CCCC[C@@H]3C2)cc1F ZINC000177766687 546683036 /nfs/dbraw/zinc/68/30/36/546683036.db2.gz HRCZHROESJVDGT-DOTOQJQBSA-N 1 2 363.477 2.351 10 0 FEAELO C[C@@H]1CN(C(=O)Nc2cnn(Cc3ccccc3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000177868178 546699040 /nfs/dbraw/zinc/69/90/40/546699040.db2.gz WHWPJFIQIGIFBQ-VQIMIIECSA-N 1 2 369.469 2.116 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000178249311 546763099 /nfs/dbraw/zinc/76/30/99/546763099.db2.gz XKDOTPNNQOGGCI-RKPUJPDHSA-N 1 2 369.531 2.424 10 0 FEAELO C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc2c(c1)OCCO2 ZINC000178676525 546830618 /nfs/dbraw/zinc/83/06/18/546830618.db2.gz KPNZOEANONBLPG-GDBMZVCRSA-N 1 2 368.437 2.492 10 0 FEAELO CC[C@H](CSC)N(C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000179695365 547000047 /nfs/dbraw/zinc/00/00/47/547000047.db2.gz YBXHEYYIVQYQDU-KGLIPLIRSA-N 1 2 366.535 2.270 10 0 FEAELO CC[C@H](CSC)N(C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000179695365 547000051 /nfs/dbraw/zinc/00/00/51/547000051.db2.gz YBXHEYYIVQYQDU-KGLIPLIRSA-N 1 2 366.535 2.270 10 0 FEAELO CC(C)(C)OC(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000180315643 547083174 /nfs/dbraw/zinc/08/31/74/547083174.db2.gz SMZZMEIXILISCP-KRWDZBQOSA-N 1 2 360.454 2.189 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc(O)cc1O ZINC000182555998 547513358 /nfs/dbraw/zinc/51/33/58/547513358.db2.gz CVYKVICNTMKURK-HNNXBMFYSA-N 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548446898 /nfs/dbraw/zinc/44/68/98/548446898.db2.gz YKGZFUSFDOYTOZ-UHFFFAOYSA-N 1 2 368.466 2.195 10 0 FEAELO CCc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000194603789 548503252 /nfs/dbraw/zinc/50/32/52/548503252.db2.gz AFJZKHZMFDQPDI-OAHLLOKOSA-N 1 2 362.861 2.149 10 0 FEAELO CCc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1cccc(Cl)c1 ZINC000194603789 548503260 /nfs/dbraw/zinc/50/32/60/548503260.db2.gz AFJZKHZMFDQPDI-OAHLLOKOSA-N 1 2 362.861 2.149 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000194724598 548521390 /nfs/dbraw/zinc/52/13/90/548521390.db2.gz BFXOCMBCAXDMRM-AWEZNQCLSA-N 1 2 359.451 2.061 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000194724598 548521395 /nfs/dbraw/zinc/52/13/95/548521395.db2.gz BFXOCMBCAXDMRM-AWEZNQCLSA-N 1 2 359.451 2.061 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)c1nnc(-c2ccc(F)cc2)n1CC ZINC000195182366 548591120 /nfs/dbraw/zinc/59/11/20/548591120.db2.gz YIZVUJTWPQWUFS-UHFFFAOYSA-N 1 2 363.418 2.294 10 0 FEAELO COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000195318070 548622947 /nfs/dbraw/zinc/62/29/47/548622947.db2.gz OVILIFLXBHGFSM-CYBMUJFWSA-N 1 2 358.423 2.315 10 0 FEAELO COC(=O)c1sccc1NC(=O)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000195502204 548650200 /nfs/dbraw/zinc/65/02/00/548650200.db2.gz VBLKAEAFLHVZKX-UHFFFAOYSA-N 1 2 362.455 2.086 10 0 FEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246289170 549097082 /nfs/dbraw/zinc/09/70/82/549097082.db2.gz AXQDSFAIJWKPJM-PBFPGSCMSA-N 1 2 369.868 2.459 10 0 FEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246289170 549097088 /nfs/dbraw/zinc/09/70/88/549097088.db2.gz AXQDSFAIJWKPJM-PBFPGSCMSA-N 1 2 369.868 2.459 10 0 FEAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246289170 549097091 /nfs/dbraw/zinc/09/70/91/549097091.db2.gz AXQDSFAIJWKPJM-PBFPGSCMSA-N 1 2 369.868 2.459 10 0 FEAELO CC[C@@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)CC[N@@H+]1C[C@H](C)O ZINC000246720385 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373.478 2.234 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000247249150 549305846 /nfs/dbraw/zinc/30/58/46/549305846.db2.gz YQGNQRVMEOOZLP-VMUDFCTBSA-N 1 2 350.409 2.247 10 0 FEAELO CC(C)[C@H](C)NC(=O)C[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247604988 549366486 /nfs/dbraw/zinc/36/64/86/549366486.db2.gz LNMZTKOFSHKUMF-JKSUJKDBSA-N 1 2 353.532 2.214 10 0 FEAELO CC(C)[C@H](C)NC(=O)C[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000247604988 549366489 /nfs/dbraw/zinc/36/64/89/549366489.db2.gz LNMZTKOFSHKUMF-JKSUJKDBSA-N 1 2 353.532 2.214 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](CC(=O)N[C@H](C)CCCC(C)C)CCO2)c1 ZINC000247776982 549379977 /nfs/dbraw/zinc/37/99/77/549379977.db2.gz QXNQSUPEZNIRCZ-QZTJIDSGSA-N 1 2 350.507 2.223 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)CCO2)c1 ZINC000247776982 549379978 /nfs/dbraw/zinc/37/99/78/549379978.db2.gz QXNQSUPEZNIRCZ-QZTJIDSGSA-N 1 2 350.507 2.223 10 0 FEAELO 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CC1(C)Cc2cccc(S(=O)(=O)N3CCC[C@H]3Cn3cc[nH+]c3)c2O1 ZINC000192622043 328328860 /nfs/dbraw/zinc/32/88/60/328328860.db2.gz KGTKPHJXLHNJCW-HNNXBMFYSA-N 1 2 361.467 2.450 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCCCCCO)CC2)cs1 ZINC000192721374 328335477 /nfs/dbraw/zinc/33/54/77/328335477.db2.gz HPLMHCKMXDLHMG-UHFFFAOYSA-N 1 2 354.520 2.222 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCCCCCO)CC2)cs1 ZINC000192721374 328335479 /nfs/dbraw/zinc/33/54/79/328335479.db2.gz HPLMHCKMXDLHMG-UHFFFAOYSA-N 1 2 354.520 2.222 10 0 FEAELO C[C@@H](SCC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nc2ccccc2[nH]1 ZINC000078445212 325046539 /nfs/dbraw/zinc/04/65/39/325046539.db2.gz DZEUJBLYYIOSFN-UONOGXRCSA-N 1 2 362.499 2.194 10 0 FEAELO COc1ccc2nc(NC(=O)NC[C@@H](C)[NH+]3CCOCC3)sc2c1 ZINC000079056672 325074490 /nfs/dbraw/zinc/07/44/90/325074490.db2.gz UPVYAQGVKFSNFX-LLVKDONJSA-N 1 2 350.444 2.147 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)c1nnc(C)n1CCc1cccs1 ZINC000081545010 325182643 /nfs/dbraw/zinc/18/26/43/325182643.db2.gz GORJZVWLCASNJC-UHFFFAOYSA-N 1 2 365.484 2.081 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000083066737 325213025 /nfs/dbraw/zinc/21/30/25/325213025.db2.gz PPFQUIZHAZUHDM-CYBMUJFWSA-N 1 2 367.446 2.004 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc(Cl)c1OCC(N)=O ZINC000091978890 325399096 /nfs/dbraw/zinc/39/90/96/325399096.db2.gz FVWUKPNFMLDAPR-GJZGRUSLSA-N 1 2 368.861 2.356 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc(Cl)c1OCC(N)=O ZINC000091978890 325399097 /nfs/dbraw/zinc/39/90/97/325399097.db2.gz FVWUKPNFMLDAPR-GJZGRUSLSA-N 1 2 368.861 2.356 10 0 FEAELO CC(C)COC[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccco1 ZINC000101786600 325480369 /nfs/dbraw/zinc/48/03/69/325480369.db2.gz WSCOZHXPSFKAOX-HZPDHXFCSA-N 1 2 353.463 2.013 10 0 FEAELO COc1ccc(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000106085140 325578326 /nfs/dbraw/zinc/57/83/26/325578326.db2.gz XXTGUSOQXLLTBX-UHFFFAOYSA-N 1 2 355.442 2.025 10 0 FEAELO O=C1[C@@H]([NH+]2CCC(Nc3cccnn3)CC2)CCN1c1ccccc1F ZINC000112345301 325773810 /nfs/dbraw/zinc/77/38/10/325773810.db2.gz TZXJVZXDOPEMRT-KRWDZBQOSA-N 1 2 355.417 2.298 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000118948726 326112452 /nfs/dbraw/zinc/11/24/52/326112452.db2.gz HTPACCPTOCHHBY-KRWDZBQOSA-N 1 2 370.457 2.329 10 0 FEAELO O=C(Cc1cc(Br)ccc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000119108875 326127872 /nfs/dbraw/zinc/12/78/72/326127872.db2.gz XTTMCYUSVICGRD-CQSZACIVSA-N 1 2 371.250 2.064 10 0 FEAELO C[C@H](C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)c1cccs1 ZINC000119165459 326133270 /nfs/dbraw/zinc/13/32/70/326133270.db2.gz ODCQNLPPRBIMFB-DLBZAZTESA-N 1 2 374.506 2.436 10 0 FEAELO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1nc(Cc3ccccc3)no1)CC2 ZINC000119228028 326139358 /nfs/dbraw/zinc/13/93/58/326139358.db2.gz WTEVVCWGETVQEW-HIFRSBDPSA-N 1 2 352.442 2.480 10 0 FEAELO C[C@@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1 ZINC000119601735 326179621 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Cc1noc([C@@H](C)N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)n1 ZINC000121324380 326329660 /nfs/dbraw/zinc/32/96/60/326329660.db2.gz GFFQOSPQZAXTSN-CYBMUJFWSA-N 1 2 353.430 2.042 10 0 FEAELO c1cnn(C[C@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)c1 ZINC000122311768 326391826 /nfs/dbraw/zinc/39/18/26/326391826.db2.gz IBSOAXJRJVTCDH-GOSISDBHSA-N 1 2 351.410 2.366 10 0 FEAELO c1cnn(C[C@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)c1 ZINC000122311768 326391828 /nfs/dbraw/zinc/39/18/28/326391828.db2.gz IBSOAXJRJVTCDH-GOSISDBHSA-N 1 2 351.410 2.366 10 0 FEAELO Cc1ccc(-c2ccsc2C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000129049083 326534026 /nfs/dbraw/zinc/53/40/26/326534026.db2.gz UJKAFHKCWCTBAP-INIZCTEOSA-N 1 2 360.479 2.146 10 0 FEAELO C[C@H]1Cc2cc(S(=O)(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000151148947 326675859 /nfs/dbraw/zinc/67/58/59/326675859.db2.gz HSFDBOQBOFKBOQ-BBRMVZONSA-N 1 2 360.435 2.247 10 0 FEAELO O=C(N[C@@H]1CCOc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159049907 326917561 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ZINC000248849751 549513827 /nfs/dbraw/zinc/51/38/27/549513827.db2.gz BAYVZCFNXKVWHC-FBBABVLZSA-N 1 2 362.514 2.233 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000248849751 549513831 /nfs/dbraw/zinc/51/38/31/549513831.db2.gz BAYVZCFNXKVWHC-FBBABVLZSA-N 1 2 362.514 2.233 10 0 FEAELO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCCNC(=O)[C@H]4C)nc(N)c23)C1 ZINC000248991480 549537180 /nfs/dbraw/zinc/53/71/80/549537180.db2.gz FYNMJKWWVCLSRM-NWDGAFQWSA-N 1 2 373.526 2.151 10 0 FEAELO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCCNC(=O)[C@H]4C)nc(N)c23)C1 ZINC000248991480 549537184 /nfs/dbraw/zinc/53/71/84/549537184.db2.gz FYNMJKWWVCLSRM-NWDGAFQWSA-N 1 2 373.526 2.151 10 0 FEAELO CC[C@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1CCOC ZINC000249271322 549574652 /nfs/dbraw/zinc/57/46/52/549574652.db2.gz KJVZQPHSGBRECB-WBVHZDCISA-N 1 2 354.516 2.194 10 0 FEAELO CC[C@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC[N@H+]1CCOC ZINC000249271322 549574655 /nfs/dbraw/zinc/57/46/55/549574655.db2.gz KJVZQPHSGBRECB-WBVHZDCISA-N 1 2 354.516 2.194 10 0 FEAELO COc1cc(NC2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cc(OC)c1 ZINC000263005183 549870508 /nfs/dbraw/zinc/87/05/08/549870508.db2.gz PFGDXPXYGIBGGL-MRXNPFEDSA-N 1 2 369.412 2.104 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000263175494 549883272 /nfs/dbraw/zinc/88/32/72/549883272.db2.gz GDTXEXNFUNDUTL-CYBMUJFWSA-N 1 2 363.330 2.351 10 0 FEAELO Clc1cccc(COc2cncc(NC[C@H]3C[NH+]4CCN3CC4)n2)c1 ZINC000301792463 553679892 /nfs/dbraw/zinc/67/98/92/553679892.db2.gz RQWMQNLSVFRRRB-INIZCTEOSA-N 1 2 359.861 2.121 10 0 FEAELO COC(=O)c1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1C ZINC000301977947 553695794 /nfs/dbraw/zinc/69/57/94/553695794.db2.gz WUBLQNQNZMJYDB-RTBURBONSA-N 1 2 367.449 2.266 10 0 FEAELO COC(=O)c1ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc1C ZINC000301977947 553695795 /nfs/dbraw/zinc/69/57/95/553695795.db2.gz WUBLQNQNZMJYDB-RTBURBONSA-N 1 2 367.449 2.266 10 0 FEAELO C[C@H](OCC1CC1)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328620636 553797316 /nfs/dbraw/zinc/79/73/16/553797316.db2.gz HEJWQSZYHWXZDH-RDJZCZTQSA-N 1 2 359.470 2.477 10 0 FEAELO CN(C)c1ccc(N[C@H]2CCCN(C(=O)CCc3ccnn3C)CC2)c[nH+]1 ZINC000328626201 553798626 /nfs/dbraw/zinc/79/86/26/553798626.db2.gz DVTJYGUGQWQDGR-INIZCTEOSA-N 1 2 370.501 2.307 10 0 FEAELO C[C@H]1CC[C@H](O)C[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000399510513 558628126 /nfs/dbraw/zinc/62/81/26/558628126.db2.gz ZHEYSRKAYZENBP-AAEUAGOBSA-N 1 2 362.289 2.068 10 0 FEAELO C[C@H]1CC[C@H](O)C[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000399510513 558628128 /nfs/dbraw/zinc/62/81/28/558628128.db2.gz ZHEYSRKAYZENBP-AAEUAGOBSA-N 1 2 362.289 2.068 10 0 FEAELO Cc1ccc2ncc(C(=O)N3CCCC[C@@H]3c3nnc(C[NH+](C)C)o3)n2c1 ZINC000583622147 570811420 /nfs/dbraw/zinc/81/14/20/570811420.db2.gz SHTJBZNWSFQDTQ-CQSZACIVSA-N 1 2 368.441 2.455 10 0 FEAELO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539602 672402804 /nfs/dbraw/zinc/40/28/04/672402804.db2.gz ZHUXCOWFJXDVKD-HTQZYQBOSA-N 1 2 351.205 2.461 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccnc(Cl)c2)nc[nH+]1 ZINC000181851984 672432104 /nfs/dbraw/zinc/43/21/04/672432104.db2.gz OWIXIIBIFJBUBY-LBPRGKRZSA-N 1 2 361.837 2.357 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccnc(Cl)c2)[nH+]cn1 ZINC000181851984 672432106 /nfs/dbraw/zinc/43/21/06/672432106.db2.gz OWIXIIBIFJBUBY-LBPRGKRZSA-N 1 2 361.837 2.357 10 0 FEAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000184237534 672494887 /nfs/dbraw/zinc/49/48/87/672494887.db2.gz QBLJKNKTDYIDEX-HKUPYCBJSA-N 1 2 358.891 2.029 10 0 FEAELO CC(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000184965185 672514087 /nfs/dbraw/zinc/51/40/87/672514087.db2.gz UYGMUWGHRCFVAM-WFASDCNBSA-N 1 2 359.239 2.222 10 0 FEAELO CC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000184965185 672514091 /nfs/dbraw/zinc/51/40/91/672514091.db2.gz UYGMUWGHRCFVAM-WFASDCNBSA-N 1 2 359.239 2.222 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2scnc2C)nc[nH+]1 ZINC000188955930 672603038 /nfs/dbraw/zinc/60/30/38/672603038.db2.gz UVWILDXKAPXSKM-URWSZGRFSA-N 1 2 358.471 2.082 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2scnc2C)[nH+]cn1 ZINC000188955930 672603043 /nfs/dbraw/zinc/60/30/43/672603043.db2.gz UVWILDXKAPXSKM-URWSZGRFSA-N 1 2 358.471 2.082 10 0 FEAELO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)c1ccc(S(N)(=O)=O)cc1 ZINC000192841668 672703800 /nfs/dbraw/zinc/70/38/00/672703800.db2.gz LDMJHVDFZIZPGH-GFCCVEGCSA-N 1 2 358.423 2.235 10 0 FEAELO C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CC[NH2+]1 ZINC000005929695 539419885 /nfs/dbraw/zinc/41/98/85/539419885.db2.gz ZMTUMOZDZAJLFA-LLVKDONJSA-N 1 2 361.417 2.392 10 0 FEAELO C[C@H]1CN(c2nc(Nc3ccccc3)nc(N3CCOCC3)[nH+]2)C[C@H](C)O1 ZINC000028218648 539828430 /nfs/dbraw/zinc/82/84/30/539828430.db2.gz CKIDFOPIGQMOPJ-GJZGRUSLSA-N 1 2 370.457 2.065 10 0 FEAELO CCOc1c(Cl)cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC000046269306 540250788 /nfs/dbraw/zinc/25/07/88/540250788.db2.gz VAXRSOUVFYMBOZ-GFCCVEGCSA-N 1 2 356.850 2.198 10 0 FEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccc(N2CCCC2=O)cc1 ZINC000051997367 540451048 /nfs/dbraw/zinc/45/10/48/540451048.db2.gz VPHVAHXSIHXCDG-RBUKOAKNSA-N 1 2 371.481 2.073 10 0 FEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccc(N2CCCC2=O)cc1 ZINC000051997367 540451053 /nfs/dbraw/zinc/45/10/53/540451053.db2.gz VPHVAHXSIHXCDG-RBUKOAKNSA-N 1 2 371.481 2.073 10 0 FEAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000053810984 540555786 /nfs/dbraw/zinc/55/57/86/540555786.db2.gz QVCMDTYCUWTKKD-ZWKOTPCHSA-N 1 2 352.482 2.465 10 0 FEAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000053810984 540555789 /nfs/dbraw/zinc/55/57/89/540555789.db2.gz QVCMDTYCUWTKKD-ZWKOTPCHSA-N 1 2 352.482 2.465 10 0 FEAELO Cc1nn(C)c(=O)c(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000072534656 541828178 /nfs/dbraw/zinc/82/81/78/541828178.db2.gz VRZXABVYARRCDG-CQSZACIVSA-N 1 2 351.410 2.074 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072824223 541873328 /nfs/dbraw/zinc/87/33/28/541873328.db2.gz VVPWKRSPHMDESR-ZDUSSCGKSA-N 1 2 364.471 2.245 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000072824223 541873332 /nfs/dbraw/zinc/87/33/32/541873332.db2.gz VVPWKRSPHMDESR-ZDUSSCGKSA-N 1 2 364.471 2.245 10 0 FEAELO CC(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074875629 542132678 /nfs/dbraw/zinc/13/26/78/542132678.db2.gz TUNISGGEIUGMIM-NVXWUHKLSA-N 1 2 369.469 2.491 10 0 FEAELO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH+]1CCOCC1)CC2 ZINC000014733827 211099077 /nfs/dbraw/zinc/09/90/77/211099077.db2.gz OLCPJOSUWFMOIT-KRWDZBQOSA-N 1 2 374.529 2.355 10 0 FEAELO C[C@H]1CCCN(C(=O)CC[NH2+]Cc2noc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000065507575 221228942 /nfs/dbraw/zinc/22/89/42/221228942.db2.gz PKWZQFTWVVPESE-ZDUSSCGKSA-N 1 2 372.425 2.204 10 0 FEAELO Cc1cnc(C)c(N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)C2CC2)n1 ZINC000091650459 132202774 /nfs/dbraw/zinc/20/27/74/132202774.db2.gz DZYGEZPELQKXAV-UHFFFAOYSA-N 1 2 366.469 2.107 10 0 FEAELO Cc1nn(C)cc1C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000093273109 542922575 /nfs/dbraw/zinc/92/25/75/542922575.db2.gz YGZDKGCIZRTDLG-UHFFFAOYSA-N 1 2 350.470 2.232 10 0 FEAELO Cc1nn(C)cc1CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000093273109 542922579 /nfs/dbraw/zinc/92/25/79/542922579.db2.gz YGZDKGCIZRTDLG-UHFFFAOYSA-N 1 2 350.470 2.232 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000103477057 543110061 /nfs/dbraw/zinc/11/00/61/543110061.db2.gz CNWBJEBZOZVFIN-OAHLLOKOSA-N 1 2 371.489 2.428 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C1 ZINC000103477057 543110063 /nfs/dbraw/zinc/11/00/63/543110063.db2.gz CNWBJEBZOZVFIN-OAHLLOKOSA-N 1 2 371.489 2.428 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000103478288 543111398 /nfs/dbraw/zinc/11/13/98/543111398.db2.gz HLNUOOIYCKUCIO-CQSZACIVSA-N 1 2 373.457 2.133 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000103478288 543111399 /nfs/dbraw/zinc/11/13/99/543111399.db2.gz HLNUOOIYCKUCIO-CQSZACIVSA-N 1 2 373.457 2.133 10 0 FEAELO C[C@H](c1ccccc1Br)N(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104798747 543145028 /nfs/dbraw/zinc/14/50/28/543145028.db2.gz SRMPVJCFJZLGOU-OLZOCXBDSA-N 1 2 370.291 2.482 10 0 FEAELO C[C@H](c1ccccc1Br)N(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104798747 543145031 /nfs/dbraw/zinc/14/50/31/543145031.db2.gz SRMPVJCFJZLGOU-OLZOCXBDSA-N 1 2 370.291 2.482 10 0 FEAELO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2F)n1 ZINC000105281327 543168209 /nfs/dbraw/zinc/16/82/09/543168209.db2.gz ZSQBEGVCTUXWDC-HNNXBMFYSA-N 1 2 361.421 2.080 10 0 FEAELO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2F)n1 ZINC000105281327 543168211 /nfs/dbraw/zinc/16/82/11/543168211.db2.gz ZSQBEGVCTUXWDC-HNNXBMFYSA-N 1 2 361.421 2.080 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC000105283616 543169520 /nfs/dbraw/zinc/16/95/20/543169520.db2.gz VMQWWTGGMBVTHE-SFHVURJKSA-N 1 2 374.485 2.201 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC000105283616 543169521 /nfs/dbraw/zinc/16/95/21/543169521.db2.gz VMQWWTGGMBVTHE-SFHVURJKSA-N 1 2 374.485 2.201 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000105281453 543169562 /nfs/dbraw/zinc/16/95/62/543169562.db2.gz KBTALLRRHKXXCG-SFHVURJKSA-N 1 2 359.426 2.449 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000105281453 543169564 /nfs/dbraw/zinc/16/95/64/543169564.db2.gz KBTALLRRHKXXCG-SFHVURJKSA-N 1 2 359.426 2.449 10 0 FEAELO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105283137 543169592 /nfs/dbraw/zinc/16/95/92/543169592.db2.gz GAJULASUVLWNIT-GFCCVEGCSA-N 1 2 360.380 2.224 10 0 FEAELO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105283137 543169594 /nfs/dbraw/zinc/16/95/94/543169594.db2.gz GAJULASUVLWNIT-GFCCVEGCSA-N 1 2 360.380 2.224 10 0 FEAELO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)nn1 ZINC000106072664 543190093 /nfs/dbraw/zinc/19/00/93/543190093.db2.gz SMDWXJVBUNOFLR-AWEZNQCLSA-N 1 2 374.876 2.373 10 0 FEAELO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)nn1 ZINC000106072664 543190095 /nfs/dbraw/zinc/19/00/95/543190095.db2.gz SMDWXJVBUNOFLR-AWEZNQCLSA-N 1 2 374.876 2.373 10 0 FEAELO CCc1nc(NC(=O)C[NH+]2CCC(Nc3cccnn3)CC2)sc1C ZINC000106080593 543191343 /nfs/dbraw/zinc/19/13/43/543191343.db2.gz BRPQMBJFGHNBEW-UHFFFAOYSA-N 1 2 360.487 2.319 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCCC3)CC2)s1 ZINC000106091633 543194617 /nfs/dbraw/zinc/19/46/17/543194617.db2.gz NSQJECPERBQMQF-AWEZNQCLSA-N 1 2 350.532 2.407 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)s1 ZINC000106091489 543194699 /nfs/dbraw/zinc/19/46/99/543194699.db2.gz OMQGJKCLCKEQRP-OAHLLOKOSA-N 1 2 358.511 2.274 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CCO2)c1 ZINC000106198263 543217024 /nfs/dbraw/zinc/21/70/24/543217024.db2.gz JIHQVUGCOPQRDD-LNLFQRSKSA-N 1 2 368.481 2.259 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)CCO2)c1 ZINC000106198263 543217028 /nfs/dbraw/zinc/21/70/28/543217028.db2.gz JIHQVUGCOPQRDD-LNLFQRSKSA-N 1 2 368.481 2.259 10 0 FEAELO COc1ccc(SCC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109656580 543331595 /nfs/dbraw/zinc/33/15/95/543331595.db2.gz OPMQVUJMIGEKSG-UHFFFAOYSA-N 1 2 374.510 2.255 10 0 FEAELO COc1ccc(SCC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109656580 543331598 /nfs/dbraw/zinc/33/15/98/543331598.db2.gz OPMQVUJMIGEKSG-UHFFFAOYSA-N 1 2 374.510 2.255 10 0 FEAELO CCSc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cn1 ZINC000109656431 543331814 /nfs/dbraw/zinc/33/18/14/543331814.db2.gz KBDQCQSULIZUEQ-UHFFFAOYSA-N 1 2 359.499 2.275 10 0 FEAELO CCSc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cn1 ZINC000109656431 543331816 /nfs/dbraw/zinc/33/18/16/543331816.db2.gz KBDQCQSULIZUEQ-UHFFFAOYSA-N 1 2 359.499 2.275 10 0 FEAELO CCOc1ccc(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)cc1OC ZINC000110203064 543351758 /nfs/dbraw/zinc/35/17/58/543351758.db2.gz KVEQWNDTPJHGSR-HNNXBMFYSA-N 1 2 358.442 2.457 10 0 FEAELO CCOc1ccc(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)cc1OC ZINC000110203064 543351759 /nfs/dbraw/zinc/35/17/59/543351759.db2.gz KVEQWNDTPJHGSR-HNNXBMFYSA-N 1 2 358.442 2.457 10 0 FEAELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCO[C@H](c2nccs2)C1 ZINC000111811764 543416833 /nfs/dbraw/zinc/41/68/33/543416833.db2.gz WCBCIXIBKGQWJC-HNNXBMFYSA-N 1 2 373.482 2.421 10 0 FEAELO Cc1cnn([C@@H]2CCCN(C(=O)NCCc3cn4ccccc4[nH+]3)C2)c1 ZINC000111810826 543417035 /nfs/dbraw/zinc/41/70/35/543417035.db2.gz MEKUFXLDCRUTOU-QGZVFWFLSA-N 1 2 352.442 2.428 10 0 FEAELO C[NH+](C)C[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1ccccc1 ZINC000156417753 545626157 /nfs/dbraw/zinc/62/61/57/545626157.db2.gz DZJYCFSCIAJVSX-AWEZNQCLSA-N 1 2 352.481 2.184 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000115633798 543578500 /nfs/dbraw/zinc/57/85/00/543578500.db2.gz GALWEFWDONGAGO-UHFFFAOYSA-N 1 2 355.486 2.107 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)cc2Cl)C[C@@H]1C ZINC000117369102 543630536 /nfs/dbraw/zinc/63/05/36/543630536.db2.gz JWDKQWJCEYDPME-AWEZNQCLSA-N 1 2 360.907 2.380 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(C)cc2Cl)C[C@@H]1C ZINC000117369102 543630537 /nfs/dbraw/zinc/63/05/37/543630537.db2.gz JWDKQWJCEYDPME-AWEZNQCLSA-N 1 2 360.907 2.380 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[N@@H+]1CCOC ZINC000117372585 543630612 /nfs/dbraw/zinc/63/06/12/543630612.db2.gz PLZQUZRUAWOBFD-CYBMUJFWSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[N@H+]1CCOC ZINC000117372585 543630614 /nfs/dbraw/zinc/63/06/14/543630614.db2.gz PLZQUZRUAWOBFD-CYBMUJFWSA-N 1 2 364.870 2.210 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C ZINC000117522220 543635113 /nfs/dbraw/zinc/63/51/13/543635113.db2.gz DEMMKAXQTIVWHD-HNNXBMFYSA-N 1 2 361.486 2.102 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C ZINC000117522220 543635116 /nfs/dbraw/zinc/63/51/16/543635116.db2.gz DEMMKAXQTIVWHD-HNNXBMFYSA-N 1 2 361.486 2.102 10 0 FEAELO CN1C(=O)C[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000122578920 543711272 /nfs/dbraw/zinc/71/12/72/543711272.db2.gz WDKJOVFXLZFLOW-IEBWSBKVSA-N 1 2 370.428 2.405 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC000125254944 543871203 /nfs/dbraw/zinc/87/12/03/543871203.db2.gz VSXVTGIBEDDLRR-LJQANCHMSA-N 1 2 359.514 2.243 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C1 ZINC000125254944 543871205 /nfs/dbraw/zinc/87/12/05/543871205.db2.gz VSXVTGIBEDDLRR-LJQANCHMSA-N 1 2 359.514 2.243 10 0 FEAELO CCc1nnc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)[nH]1 ZINC000129192319 544096418 /nfs/dbraw/zinc/09/64/18/544096418.db2.gz RLCWKDZPROGUQQ-HNNXBMFYSA-N 1 2 356.405 2.470 10 0 FEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)[nH]1 ZINC000129192319 544096420 /nfs/dbraw/zinc/09/64/20/544096420.db2.gz RLCWKDZPROGUQQ-HNNXBMFYSA-N 1 2 356.405 2.470 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3nccs3)c2C)C1 ZINC000131114509 544177508 /nfs/dbraw/zinc/17/75/08/544177508.db2.gz ZJMZLDUKFNNJJX-OAHLLOKOSA-N 1 2 360.483 2.334 10 0 FEAELO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3nccs3)c2C)C1 ZINC000131114509 544177509 /nfs/dbraw/zinc/17/75/09/544177509.db2.gz ZJMZLDUKFNNJJX-OAHLLOKOSA-N 1 2 360.483 2.334 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCCN(c4cccnn4)CC3)nc[nH+]2)C1 ZINC000131576236 544196719 /nfs/dbraw/zinc/19/67/19/544196719.db2.gz PUJHZGWDBNQXLD-INIZCTEOSA-N 1 2 353.474 2.220 10 0 FEAELO C[C@H]1CCCN(c2cc(N3CCCN(c4cccnn4)CC3)[nH+]cn2)C1 ZINC000131576236 544196721 /nfs/dbraw/zinc/19/67/21/544196721.db2.gz PUJHZGWDBNQXLD-INIZCTEOSA-N 1 2 353.474 2.220 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)c1 ZINC000131587436 544197086 /nfs/dbraw/zinc/19/70/86/544197086.db2.gz CMBZIQXGYADLBI-HXUWFJFHSA-N 1 2 351.454 2.337 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)c1 ZINC000131587436 544197089 /nfs/dbraw/zinc/19/70/89/544197089.db2.gz CMBZIQXGYADLBI-HXUWFJFHSA-N 1 2 351.454 2.337 10 0 FEAELO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000132169320 544221353 /nfs/dbraw/zinc/22/13/53/544221353.db2.gz ORAFGRRLCSLAMJ-MAZHCROVSA-N 1 2 355.866 2.046 10 0 FEAELO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000132169320 544221355 /nfs/dbraw/zinc/22/13/55/544221355.db2.gz ORAFGRRLCSLAMJ-MAZHCROVSA-N 1 2 355.866 2.046 10 0 FEAELO CNc1c(Cl)ncnc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000136060009 544365631 /nfs/dbraw/zinc/36/56/31/544365631.db2.gz IVNXUKLRTGOBBD-HUUCEWRRSA-N 1 2 359.861 2.261 10 0 FEAELO CNc1c(Cl)ncnc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000136060009 544365633 /nfs/dbraw/zinc/36/56/33/544365633.db2.gz IVNXUKLRTGOBBD-HUUCEWRRSA-N 1 2 359.861 2.261 10 0 FEAELO CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000136830515 544379865 /nfs/dbraw/zinc/37/98/65/544379865.db2.gz SVHBVRLAZHJGAJ-OAHLLOKOSA-N 1 2 350.426 2.332 10 0 FEAELO CCCCc1nnc(NC(=O)C[NH+]2CCC(c3ccnn3C)CC2)s1 ZINC000136942600 544381339 /nfs/dbraw/zinc/38/13/39/544381339.db2.gz CEZBRMXWBNDPHF-UHFFFAOYSA-N 1 2 362.503 2.432 10 0 FEAELO Cc1cnn(-c2ccc(NC(=O)NC[C@H](C)[NH+]3CCOCC3)cc2F)c1 ZINC000151646898 544566068 /nfs/dbraw/zinc/56/60/68/544566068.db2.gz ODGCUOWULIVVQH-AWEZNQCLSA-N 1 2 361.421 2.162 10 0 FEAELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000152190412 544623545 /nfs/dbraw/zinc/62/35/45/544623545.db2.gz VZBOVDHUOQAENJ-UHFFFAOYSA-N 1 2 371.489 2.428 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NCc2cccc3c2OCCCO3)[nH+]cn1 ZINC000154594424 544926165 /nfs/dbraw/zinc/92/61/65/544926165.db2.gz UXIQHKGYXZLUJZ-HNNXBMFYSA-N 1 2 356.426 2.211 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NCc2cccc3c2OCCCO3)nc[nH+]1 ZINC000154594424 544926169 /nfs/dbraw/zinc/92/61/69/544926169.db2.gz UXIQHKGYXZLUJZ-HNNXBMFYSA-N 1 2 356.426 2.211 10 0 FEAELO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1C ZINC000180535634 327690058 /nfs/dbraw/zinc/69/00/58/327690058.db2.gz AKEDWCPJVLYSID-ZDUSSCGKSA-N 1 2 365.503 2.040 10 0 FEAELO CCCCn1cc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C)n1 ZINC000184875703 327886759 /nfs/dbraw/zinc/88/67/59/327886759.db2.gz NDSKRQIGIKBJJV-FQEVSTJZSA-N 1 2 370.497 2.483 10 0 FEAELO COc1ccc(F)cc1CC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000186401445 327960358 /nfs/dbraw/zinc/96/03/58/327960358.db2.gz HYLQEOFVSOOWDW-UHFFFAOYSA-N 1 2 374.460 2.072 10 0 FEAELO Fc1ccc(Cn2cc(C[N@@H+]3CCO[C@@H](Cn4cccn4)C3)cn2)cc1 ZINC000187235793 328010344 /nfs/dbraw/zinc/01/03/44/328010344.db2.gz UXDFVQLCVBKPGS-LJQANCHMSA-N 1 2 355.417 2.168 10 0 FEAELO Fc1ccc(Cn2cc(C[N@H+]3CCO[C@@H](Cn4cccn4)C3)cn2)cc1 ZINC000187235793 328010345 /nfs/dbraw/zinc/01/03/45/328010345.db2.gz UXDFVQLCVBKPGS-LJQANCHMSA-N 1 2 355.417 2.168 10 0 FEAELO Cc1ccc2c(CCNC(=O)NC[C@H](C)[NH+]3CCOCC3)cn(C)c2c1 ZINC000187392950 328022214 /nfs/dbraw/zinc/02/22/14/328022214.db2.gz XPRMMCPCGRXLHP-INIZCTEOSA-N 1 2 358.486 2.049 10 0 FEAELO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1cccnc1Cl ZINC000188071126 328064024 /nfs/dbraw/zinc/06/40/24/328064024.db2.gz FYKWYUIOOYVIAY-STQMWFEESA-N 1 2 351.859 2.443 10 0 FEAELO O=C(C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1cccnc1Cl ZINC000188071126 328064025 /nfs/dbraw/zinc/06/40/25/328064025.db2.gz FYKWYUIOOYVIAY-STQMWFEESA-N 1 2 351.859 2.443 10 0 FEAELO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1nnnn1CC(F)(F)F)c1ccccc1 ZINC000190920210 328240303 /nfs/dbraw/zinc/24/03/03/328240303.db2.gz JBIIVYICLAQQPE-KGLIPLIRSA-N 1 2 355.364 2.324 10 0 FEAELO O[C@@H](C[C@H]1CCC[N@H+]1Cc1nnnn1CC(F)(F)F)c1ccccc1 ZINC000190920210 328240304 /nfs/dbraw/zinc/24/03/04/328240304.db2.gz JBIIVYICLAQQPE-KGLIPLIRSA-N 1 2 355.364 2.324 10 0 FEAELO C[C@H](CNC(=O)c1cc(Br)c(F)cc1F)[NH+]1CCOCC1 ZINC000191924591 328289067 /nfs/dbraw/zinc/28/90/67/328289067.db2.gz BQDUCPWWXPTLGB-SECBINFHSA-N 1 2 363.202 2.178 10 0 FEAELO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC(=O)NCCC(C)(C)C)CC1 ZINC000191978675 328291270 /nfs/dbraw/zinc/29/12/70/328291270.db2.gz XVWAGRVKVRSNDK-UHFFFAOYSA-N 1 2 369.550 2.277 10 0 FEAELO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(CC(=O)NCCC(C)(C)C)CC1 ZINC000191978675 328291272 /nfs/dbraw/zinc/29/12/72/328291272.db2.gz XVWAGRVKVRSNDK-UHFFFAOYSA-N 1 2 369.550 2.277 10 0 FEAELO O=C(c1cccc(Br)c1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000192140675 328302082 /nfs/dbraw/zinc/30/20/82/328302082.db2.gz ZUPSABBOBIWTCL-LLVKDONJSA-N 1 2 357.223 2.135 10 0 FEAELO COC(=O)c1ccccc1-c1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000192467635 328320488 /nfs/dbraw/zinc/32/04/88/328320488.db2.gz OTXWSBIRGOKFCJ-HNNXBMFYSA-N 1 2 368.433 2.201 10 0 FEAELO COC(=O)c1ccccc1-c1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000192467635 328320490 /nfs/dbraw/zinc/32/04/90/328320490.db2.gz OTXWSBIRGOKFCJ-HNNXBMFYSA-N 1 2 368.433 2.201 10 0 FEAELO COC(=O)c1ccnc(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000193803994 328396380 /nfs/dbraw/zinc/39/63/80/328396380.db2.gz XVDQQLQOTBMFKD-UHFFFAOYSA-N 1 2 357.414 2.315 10 0 FEAELO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000045162368 324570606 /nfs/dbraw/zinc/57/06/06/324570606.db2.gz BGWQHYCYQRKIGT-MRXNPFEDSA-N 1 2 362.861 2.497 10 0 FEAELO CC(C)[C@H]1C(=O)NCCN1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000080551286 325135465 /nfs/dbraw/zinc/13/54/65/325135465.db2.gz DIEJULIZDYMLDP-PBHICJAKSA-N 1 2 355.442 2.099 10 0 FEAELO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000082985468 325209053 /nfs/dbraw/zinc/20/90/53/325209053.db2.gz CERKGJUHQICYGZ-SLFFLAALSA-N 1 2 360.498 2.065 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1C ZINC000083066896 325212719 /nfs/dbraw/zinc/21/27/19/325212719.db2.gz WDVHBWRIGLJZCG-UHFFFAOYSA-N 1 2 355.847 2.418 10 0 FEAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000087117174 325274217 /nfs/dbraw/zinc/27/42/17/325274217.db2.gz SCNKUSRQWIIEEK-AWEZNQCLSA-N 1 2 353.430 2.131 10 0 FEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000090226141 325356568 /nfs/dbraw/zinc/35/65/68/325356568.db2.gz PPMGXSPLKDKEKM-LRDDRELGSA-N 1 2 363.487 2.023 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC2)s1 ZINC000106089981 325578949 /nfs/dbraw/zinc/57/89/49/325578949.db2.gz HLGJVJLPBHXEMY-HNNXBMFYSA-N 1 2 352.548 2.462 10 0 FEAELO COc1ccccc1CCNC(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106369874 325595787 /nfs/dbraw/zinc/59/57/87/325595787.db2.gz MDRRFDABFFVMGA-UHFFFAOYSA-N 1 2 370.497 2.269 10 0 FEAELO COC(=O)c1ccc(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000110943001 325697125 /nfs/dbraw/zinc/69/71/25/325697125.db2.gz WFBQCKQFAHPOSF-UHFFFAOYSA-N 1 2 359.451 2.196 10 0 FEAELO CC(C)(C)n1cc(C[NH+]2CCN(c3ccc4nccnc4n3)CC2)cn1 ZINC000112080505 325754573 /nfs/dbraw/zinc/75/45/73/325754573.db2.gz DAEZYEGDQHBWCC-UHFFFAOYSA-N 1 2 351.458 2.299 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)N[C@H](CO)CC(C)C)[NH+]2CCOCC2)s1 ZINC000119958639 326216039 /nfs/dbraw/zinc/21/60/39/326216039.db2.gz DIKXVFFQARMQQC-JKSUJKDBSA-N 1 2 369.531 2.136 10 0 FEAELO CCc1cc(=O)[nH]c(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000120091132 326229119 /nfs/dbraw/zinc/22/91/19/326229119.db2.gz HQXCXOYOOYYFNW-OAHLLOKOSA-N 1 2 362.499 2.311 10 0 FEAELO CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)n1 ZINC000120091132 326229121 /nfs/dbraw/zinc/22/91/21/326229121.db2.gz HQXCXOYOOYYFNW-OAHLLOKOSA-N 1 2 362.499 2.311 10 0 FEAELO O=C(N[C@H]1CCCn2ncnc21)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000120536964 326266973 /nfs/dbraw/zinc/26/69/73/326266973.db2.gz XLIRWYASHIWDNU-INIZCTEOSA-N 1 2 374.876 2.294 10 0 FEAELO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000120756973 326285239 /nfs/dbraw/zinc/28/52/39/326285239.db2.gz IUEAOYLFTSLMOQ-WBVHZDCISA-N 1 2 359.470 2.346 10 0 FEAELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000121501933 326343298 /nfs/dbraw/zinc/34/32/98/326343298.db2.gz DZLRGNNUMHASSF-HOTGVXAUSA-N 1 2 361.467 2.124 10 0 FEAELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000121501933 326343300 /nfs/dbraw/zinc/34/33/00/326343300.db2.gz DZLRGNNUMHASSF-HOTGVXAUSA-N 1 2 361.467 2.124 10 0 FEAELO COc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1-c1ccccn1 ZINC000121816535 326369745 /nfs/dbraw/zinc/36/97/45/326369745.db2.gz CWSCWKJZEIWFHG-HNNXBMFYSA-N 1 2 355.438 2.208 10 0 FEAELO CC(C)Cn1ncc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1C(F)F ZINC000136549717 326653324 /nfs/dbraw/zinc/65/33/24/326653324.db2.gz YBYSXLTYJHLXJW-ZFWWWQNUSA-N 1 2 370.444 2.269 10 0 FEAELO Cc1ccc([C@H](Cn2c(=O)[nH]c3ccccc3c2=O)[NH+]2CCOCC2)s1 ZINC000153360692 326731129 /nfs/dbraw/zinc/73/11/29/326731129.db2.gz OPKMXTODHTZKKP-INIZCTEOSA-N 1 2 371.462 2.133 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)Oc1cccc(CO)c1)C2 ZINC000157014918 326851569 /nfs/dbraw/zinc/85/15/69/326851569.db2.gz CRUFBBNALWZZHB-CQSZACIVSA-N 1 2 357.454 2.388 10 0 FEAELO COCCC1(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)CC1 ZINC000162180444 327018999 /nfs/dbraw/zinc/01/89/99/327018999.db2.gz VLECGXDORBULQI-HNNXBMFYSA-N 1 2 352.500 2.363 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000170651711 327091105 /nfs/dbraw/zinc/09/11/05/327091105.db2.gz HJPDOVIOEPKZGW-GOSISDBHSA-N 1 2 374.529 2.010 10 0 FEAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCCN(C)c2ccccc2)C1 ZINC000170651711 327091106 /nfs/dbraw/zinc/09/11/06/327091106.db2.gz HJPDOVIOEPKZGW-GOSISDBHSA-N 1 2 374.529 2.010 10 0 FEAELO CCc1nnc(CN2CC[NH+](Cc3nc4ccccc4s3)CC2)n1C ZINC000170942334 327108815 /nfs/dbraw/zinc/10/88/15/327108815.db2.gz CDBLLDYOYUSCGJ-UHFFFAOYSA-N 1 2 356.499 2.305 10 0 FEAELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c(OC)c1 ZINC000171407348 327137660 /nfs/dbraw/zinc/13/76/60/327137660.db2.gz TXQFRLRHSNXJDT-CQSZACIVSA-N 1 2 374.441 2.288 10 0 FEAELO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c(OC)c1 ZINC000171407348 327137662 /nfs/dbraw/zinc/13/76/62/327137662.db2.gz TXQFRLRHSNXJDT-CQSZACIVSA-N 1 2 374.441 2.288 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H](c1nccs1)c1ccccc1)[NH+]1CCOCC1 ZINC000171421645 327138528 /nfs/dbraw/zinc/13/85/28/327138528.db2.gz AOVDZXWVGPPPMY-GOEBONIOSA-N 1 2 360.483 2.252 10 0 FEAELO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CNC(=O)C1 ZINC000171490121 327142559 /nfs/dbraw/zinc/14/25/59/327142559.db2.gz PUYDSBCVDQGDCI-LJQANCHMSA-N 1 2 374.444 2.351 10 0 FEAELO CCC(C)(C)NC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000171704838 327156393 /nfs/dbraw/zinc/15/63/93/327156393.db2.gz FCSBOXVFLUFLBS-MRXNPFEDSA-N 1 2 362.474 2.057 10 0 FEAELO CCC(C)(C)NC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000171704838 327156395 /nfs/dbraw/zinc/15/63/95/327156395.db2.gz FCSBOXVFLUFLBS-MRXNPFEDSA-N 1 2 362.474 2.057 10 0 FEAELO Cc1cccc2[nH+]c(CNC(=O)N3CCC(Cn4cccn4)CC3)cn21 ZINC000172384501 327198992 /nfs/dbraw/zinc/19/89/92/327198992.db2.gz GQNVZPDQAGGGQE-UHFFFAOYSA-N 1 2 352.442 2.461 10 0 FEAELO O=C(Cc1csc(Cc2ccccc2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743886 327216486 /nfs/dbraw/zinc/21/64/86/327216486.db2.gz GAYGHVYZDDYPPW-GOSISDBHSA-N 1 2 371.506 2.210 10 0 FEAELO O=C(CCCOc1ccccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172749869 327216587 /nfs/dbraw/zinc/21/65/87/327216587.db2.gz MSXBWYLLNOMHKW-OAHLLOKOSA-N 1 2 352.862 2.432 10 0 FEAELO CSc1ncc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1-c1ccccc1 ZINC000172751450 327216882 /nfs/dbraw/zinc/21/68/82/327216882.db2.gz SCEMCYPRGZPDNM-MRXNPFEDSA-N 1 2 372.494 2.141 10 0 FEAELO O=C(c1csc(Cc2ccccc2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172753485 327216941 /nfs/dbraw/zinc/21/69/41/327216941.db2.gz NESWKJYAHFXMDF-MRXNPFEDSA-N 1 2 357.479 2.281 10 0 FEAELO O=C(CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc2c(c1)CCC2 ZINC000172751387 327217007 /nfs/dbraw/zinc/21/70/07/327217007.db2.gz HEFABZAIBYVMDE-IBGZPJMESA-N 1 2 356.466 2.071 10 0 FEAELO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1Cl ZINC000172758905 327217488 /nfs/dbraw/zinc/21/74/88/327217488.db2.gz BLGYALBQQNDDAQ-OAHLLOKOSA-N 1 2 374.872 2.381 10 0 FEAELO CCSc1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)ccn1 ZINC000173416462 327255031 /nfs/dbraw/zinc/25/50/31/327255031.db2.gz ZORCJBNDJXHJAF-AWEZNQCLSA-N 1 2 372.498 2.424 10 0 FEAELO CCSc1cc(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)ccn1 ZINC000173416462 327255032 /nfs/dbraw/zinc/25/50/32/327255032.db2.gz ZORCJBNDJXHJAF-AWEZNQCLSA-N 1 2 372.498 2.424 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2nccc3ccccc32)nc[nH+]1 ZINC000173427333 327255786 /nfs/dbraw/zinc/25/57/86/327255786.db2.gz YKNIXRGVZWICBG-HNNXBMFYSA-N 1 2 362.437 2.465 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2nccc3ccccc32)[nH+]cn1 ZINC000173427333 327255787 /nfs/dbraw/zinc/25/57/87/327255787.db2.gz YKNIXRGVZWICBG-HNNXBMFYSA-N 1 2 362.437 2.465 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCc2ccccn2)c2cccs2)CCO1 ZINC000173646617 327273744 /nfs/dbraw/zinc/27/37/44/327273744.db2.gz YOODJYGRIKPORJ-HOCLYGCPSA-N 1 2 360.483 2.404 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCc2ccccn2)c2cccs2)CCO1 ZINC000173646617 327273745 /nfs/dbraw/zinc/27/37/45/327273745.db2.gz YOODJYGRIKPORJ-HOCLYGCPSA-N 1 2 360.483 2.404 10 0 FEAELO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)cc2)n1 ZINC000173668963 327275124 /nfs/dbraw/zinc/27/51/24/327275124.db2.gz IVKYEJBWHATZHW-SFHVURJKSA-N 1 2 352.442 2.489 10 0 FEAELO Cc1cc(C)n(-c2ccc(C[N@H+]3CCO[C@H](c4nnc(C)[nH]4)C3)cc2)n1 ZINC000173668963 327275126 /nfs/dbraw/zinc/27/51/26/327275126.db2.gz IVKYEJBWHATZHW-SFHVURJKSA-N 1 2 352.442 2.489 10 0 FEAELO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCO[C@H](c4n[nH]c(C)n4)C3)cc2)n1 ZINC000173668963 327275127 /nfs/dbraw/zinc/27/51/27/327275127.db2.gz IVKYEJBWHATZHW-SFHVURJKSA-N 1 2 352.442 2.489 10 0 FEAELO Cc1cc(C)n(-c2ccc(C[N@H+]3CCO[C@H](c4n[nH]c(C)n4)C3)cc2)n1 ZINC000173668963 327275129 /nfs/dbraw/zinc/27/51/29/327275129.db2.gz IVKYEJBWHATZHW-SFHVURJKSA-N 1 2 352.442 2.489 10 0 FEAELO COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000173729054 327279434 /nfs/dbraw/zinc/27/94/34/327279434.db2.gz NZHMNSUXLJYDDS-GFCCVEGCSA-N 1 2 355.847 2.398 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@H](O)COc3ccccc3C(C)C)CCO2)[nH]1 ZINC000173758997 327281929 /nfs/dbraw/zinc/28/19/29/327281929.db2.gz ZNCDNDOSBRBWER-MAUKXSAKSA-N 1 2 360.458 2.050 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3C(C)C)CCO2)[nH]1 ZINC000173758997 327281930 /nfs/dbraw/zinc/28/19/30/327281930.db2.gz ZNCDNDOSBRBWER-MAUKXSAKSA-N 1 2 360.458 2.050 10 0 FEAELO O=C(NCCCc1ccc(Cl)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173797827 327284938 /nfs/dbraw/zinc/28/49/38/327284938.db2.gz OIFUSTDAPZCUOB-QGZVFWFLSA-N 1 2 351.878 2.389 10 0 FEAELO C[C@H]1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000173810542 327285821 /nfs/dbraw/zinc/28/58/21/327285821.db2.gz GOEVZAHFNZLANA-KBXCAEBGSA-N 1 2 373.428 2.202 10 0 FEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000173864971 327289900 /nfs/dbraw/zinc/28/99/00/327289900.db2.gz UXKCPVAOGRJORA-QRQLOZEOSA-N 1 2 361.486 2.005 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173872008 327290322 /nfs/dbraw/zinc/29/03/22/327290322.db2.gz YFCHYMILQHPRLQ-ABAIWWIYSA-N 1 2 371.250 2.381 10 0 FEAELO O=C(N[C@@H](c1nccs1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173908508 327293760 /nfs/dbraw/zinc/29/37/60/327293760.db2.gz QYIQOJNQCMBTBP-IAGOWNOFSA-N 1 2 372.494 2.349 10 0 FEAELO C[C@@H](NC(=O)CS(=O)(=O)C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173913050 327293980 /nfs/dbraw/zinc/29/39/80/327293980.db2.gz KRBRMSUXFOZQCI-CQSZACIVSA-N 1 2 361.467 2.407 10 0 FEAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173924501 327294948 /nfs/dbraw/zinc/29/49/48/327294948.db2.gz PSSLOZHMHDZUGI-JSGCOSHPSA-N 1 2 355.841 2.213 10 0 FEAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173924501 327294949 /nfs/dbraw/zinc/29/49/49/327294949.db2.gz PSSLOZHMHDZUGI-JSGCOSHPSA-N 1 2 355.841 2.213 10 0 FEAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173924501 327294950 /nfs/dbraw/zinc/29/49/50/327294950.db2.gz PSSLOZHMHDZUGI-JSGCOSHPSA-N 1 2 355.841 2.213 10 0 FEAELO Cc1ccc(C2(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)CCOCC2)cc1 ZINC000173962585 327298239 /nfs/dbraw/zinc/29/82/39/327298239.db2.gz JCQBVWVYHTTXKP-AZUAARDMSA-N 1 2 372.509 2.222 10 0 FEAELO C[C@@H]1CN(C(=O)COc2cccc3ccccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000173970290 327298728 /nfs/dbraw/zinc/29/87/28/327298728.db2.gz LXPGGUUVKNTBLG-APWZRJJASA-N 1 2 354.450 2.398 10 0 FEAELO c1ccc(-n2nc(CN3CC[C@H]([NH+]4CCOCC4)C3)c3c2CCC3)cc1 ZINC000173996335 327300436 /nfs/dbraw/zinc/30/04/36/327300436.db2.gz GNJLEMCFIUEURC-SFHVURJKSA-N 1 2 352.482 2.268 10 0 FEAELO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000174224408 327314075 /nfs/dbraw/zinc/31/40/75/327314075.db2.gz QZKGTNXMAFJODW-ZFWWWQNUSA-N 1 2 353.413 2.184 10 0 FEAELO CCc1cnc(NC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)s1 ZINC000174230623 327314263 /nfs/dbraw/zinc/31/42/63/327314263.db2.gz OWHYOMCUEGGXBG-NSHDSACASA-N 1 2 361.475 2.328 10 0 FEAELO CCc1cnc(NC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)s1 ZINC000174230623 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549419997 /nfs/dbraw/zinc/41/99/97/549419997.db2.gz GDUNRGZGDLWZSU-LSDHHAIUSA-N 1 2 355.504 2.188 10 0 FEAELO COCCCN(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248334502 549420002 /nfs/dbraw/zinc/42/00/02/549420002.db2.gz GDUNRGZGDLWZSU-LSDHHAIUSA-N 1 2 355.504 2.188 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000248642558 549475760 /nfs/dbraw/zinc/47/57/60/549475760.db2.gz OULNVPZNYXMFGX-YOEHRIQHSA-N 1 2 367.440 2.161 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000248642558 549475762 /nfs/dbraw/zinc/47/57/62/549475762.db2.gz OULNVPZNYXMFGX-YOEHRIQHSA-N 1 2 367.440 2.161 10 0 FEAELO CC[C@@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1CCOC ZINC000249271321 549574010 /nfs/dbraw/zinc/57/40/10/549574010.db2.gz KJVZQPHSGBRECB-NVXWUHKLSA-N 1 2 354.516 2.194 10 0 FEAELO CC[C@@H]1CN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC[N@H+]1CCOC ZINC000249271321 549574014 /nfs/dbraw/zinc/57/40/14/549574014.db2.gz KJVZQPHSGBRECB-NVXWUHKLSA-N 1 2 354.516 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O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263093456 549876993 /nfs/dbraw/zinc/87/69/93/549876993.db2.gz YRUNSARALSPHSR-AWEZNQCLSA-N 1 2 358.335 2.383 10 0 FEAELO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000263466722 549903512 /nfs/dbraw/zinc/90/35/12/549903512.db2.gz CUFPCECEENZQIQ-UHFFFAOYSA-N 1 2 354.454 2.494 10 0 FEAELO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000263466722 549903515 /nfs/dbraw/zinc/90/35/15/549903515.db2.gz CUFPCECEENZQIQ-UHFFFAOYSA-N 1 2 354.454 2.494 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NC[C@]2(O)CCCc3ccccc32)[nH+]cn1 ZINC000301214036 553631693 /nfs/dbraw/zinc/63/16/93/553631693.db2.gz WYQUUWVAYHCZNK-OXJNMPFZSA-N 1 2 354.454 2.074 10 0 FEAELO OC[C@@H]1CCCN1c1cc(NC[C@]2(O)CCCc3ccccc32)nc[nH+]1 ZINC000301214036 553631695 /nfs/dbraw/zinc/63/16/95/553631695.db2.gz WYQUUWVAYHCZNK-OXJNMPFZSA-N 1 2 354.454 2.074 10 0 FEAELO C[C@@H](OCC1CC1)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328620637 553797305 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FEAELO CCCCOC[C@@H](O)C[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000193364503 672721886 /nfs/dbraw/zinc/72/18/86/672721886.db2.gz UQOVNKPIKWWCJI-KRWDZBQOSA-N 1 2 352.450 2.328 10 0 FEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC000907569003 691520700 /nfs/dbraw/zinc/52/07/00/691520700.db2.gz KLNVEMBSXDRDJA-ZBFHGGJFSA-N 1 2 354.479 2.466 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000028659189 539834931 /nfs/dbraw/zinc/83/49/31/539834931.db2.gz QUGSUZJWUHDBCR-LJQANCHMSA-N 1 2 369.465 2.361 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000028659189 539834934 /nfs/dbraw/zinc/83/49/34/539834934.db2.gz QUGSUZJWUHDBCR-LJQANCHMSA-N 1 2 369.465 2.361 10 0 FEAELO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031125171 539898989 /nfs/dbraw/zinc/89/89/89/539898989.db2.gz VQEYRYZKXSCIKJ-LSDHHAIUSA-N 1 2 374.485 2.116 10 0 FEAELO COc1cc2[nH]nnc2cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033940852 539976208 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543145101 /nfs/dbraw/zinc/14/51/01/543145101.db2.gz LPJQPPAKIBFCDC-CQSZACIVSA-N 1 2 367.440 2.406 10 0 FEAELO Cc1ccccc1CN(Cc1cccnc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279508 543168705 /nfs/dbraw/zinc/16/87/05/543168705.db2.gz XNXJPFUHFGCOLD-FQEVSTJZSA-N 1 2 368.481 2.432 10 0 FEAELO Cc1ccccc1CN(Cc1cccnc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279508 543168707 /nfs/dbraw/zinc/16/87/07/543168707.db2.gz XNXJPFUHFGCOLD-FQEVSTJZSA-N 1 2 368.481 2.432 10 0 FEAELO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080086 543191621 /nfs/dbraw/zinc/19/16/21/543191621.db2.gz HIDPQVADGIGYSC-UHFFFAOYSA-N 1 2 364.457 2.146 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)NCc3cccs3)CC2)s1 ZINC000106090738 543194588 /nfs/dbraw/zinc/19/45/88/543194588.db2.gz KZMXDSAYHJZPIR-ZDUSSCGKSA-N 1 2 364.540 2.336 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000106137291 543207306 /nfs/dbraw/zinc/20/73/06/543207306.db2.gz IFQWZRDOIYQSFW-LRDDRELGSA-N 1 2 366.412 2.322 10 0 FEAELO COC(=O)c1occc1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150839 543208874 /nfs/dbraw/zinc/20/88/74/543208874.db2.gz LSKYLUGVCJMEKN-UHFFFAOYSA-N 1 2 360.414 2.035 10 0 FEAELO COC(=O)c1occc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150839 543208878 /nfs/dbraw/zinc/20/88/78/543208878.db2.gz LSKYLUGVCJMEKN-UHFFFAOYSA-N 1 2 360.414 2.035 10 0 FEAELO CCOc1ccnc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3)CC2)n1 ZINC000106152989 543209427 /nfs/dbraw/zinc/20/94/27/543209427.db2.gz UICUVKYKVQPCNE-OAHLLOKOSA-N 1 2 355.442 2.025 10 0 FEAELO Fc1ccc(OCc2noc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)n2)cc1 ZINC000106173497 543212789 /nfs/dbraw/zinc/21/27/89/543212789.db2.gz XBESOLSQBBGHDH-AWEZNQCLSA-N 1 2 372.404 2.291 10 0 FEAELO Fc1ccc(OCc2noc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)n2)cc1 ZINC000106173497 543212791 /nfs/dbraw/zinc/21/27/91/543212791.db2.gz XBESOLSQBBGHDH-AWEZNQCLSA-N 1 2 372.404 2.291 10 0 FEAELO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000106199186 543216725 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2.441 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC000107577892 543272774 /nfs/dbraw/zinc/27/27/74/543272774.db2.gz RLGBANZCQKSAOI-GOSISDBHSA-N 1 2 370.449 2.091 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC000107577892 543272777 /nfs/dbraw/zinc/27/27/77/543272777.db2.gz RLGBANZCQKSAOI-GOSISDBHSA-N 1 2 370.449 2.091 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC000107577897 543272945 /nfs/dbraw/zinc/27/29/45/543272945.db2.gz RLGBANZCQKSAOI-SFHVURJKSA-N 1 2 370.449 2.091 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)COc2ccccc2OCc2ccccc2)C1 ZINC000107577897 543272948 /nfs/dbraw/zinc/27/29/48/543272948.db2.gz RLGBANZCQKSAOI-SFHVURJKSA-N 1 2 370.449 2.091 10 0 FEAELO COc1ccc(CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@@H](C)C2CC2)cc1 ZINC000108930522 543308649 /nfs/dbraw/zinc/30/86/49/543308649.db2.gz FFXBEVDMJYBEAD-KXBFYZLASA-N 1 2 361.486 2.336 10 0 FEAELO COc1ccc(CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C2CC2)cc1 ZINC000108930522 543308652 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Cn1cc(C[N@H+]2CCCN(C(=O)c3sccc3OC(F)F)CC2)cn1 ZINC000112559529 543452650 /nfs/dbraw/zinc/45/26/50/543452650.db2.gz GQRNUTPFFOOLIE-UHFFFAOYSA-N 1 2 370.425 2.431 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(C(F)(F)F)[nH]c1=O)C2 ZINC000112665183 543456139 /nfs/dbraw/zinc/45/61/39/543456139.db2.gz IKXCPUUKMZBBEU-UHFFFAOYSA-N 1 2 368.359 2.449 10 0 FEAELO CCS[C@@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(C)C ZINC000115389387 543564057 /nfs/dbraw/zinc/56/40/57/543564057.db2.gz XLMKRQCGOBKKBK-QGZVFWFLSA-N 1 2 352.548 2.459 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCc2cccc(C)c2)CC1 ZINC000115647548 543579063 /nfs/dbraw/zinc/57/90/63/543579063.db2.gz ZZBBORRMCHWDGU-UHFFFAOYSA-N 1 2 355.486 2.373 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000117370209 543630577 /nfs/dbraw/zinc/63/05/77/543630577.db2.gz RIQINLYVDZRZQZ-NSHDSACASA-N 1 2 367.298 2.335 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000117370209 543630578 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COC(=O)CCn1nc(C)c(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1C ZINC000123314966 543754805 /nfs/dbraw/zinc/75/48/05/543754805.db2.gz YDPIOELDBPYDLJ-UHFFFAOYSA-N 1 2 373.501 2.478 10 0 FEAELO COC(=O)CCn1nc(C)c(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1C ZINC000123314966 543754808 /nfs/dbraw/zinc/75/48/08/543754808.db2.gz YDPIOELDBPYDLJ-UHFFFAOYSA-N 1 2 373.501 2.478 10 0 FEAELO COC(=O)CCn1nc(C)c(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1C ZINC000123314966 543754810 /nfs/dbraw/zinc/75/48/10/543754810.db2.gz YDPIOELDBPYDLJ-UHFFFAOYSA-N 1 2 373.501 2.478 10 0 FEAELO CC(C)Oc1cncc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000127140041 543975005 /nfs/dbraw/zinc/97/50/05/543975005.db2.gz ZCDXZIYUTLWNAN-ZWKOTPCHSA-N 1 2 354.454 2.353 10 0 FEAELO CCCn1nc(C)c(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1C ZINC000132876366 544246603 /nfs/dbraw/zinc/24/66/03/544246603.db2.gz GBXALVZHIGCBCF-HNNXBMFYSA-N 1 2 371.489 2.140 10 0 FEAELO CCCn1nc(C)c(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)c1C ZINC000132876366 544246604 /nfs/dbraw/zinc/24/66/04/544246604.db2.gz GBXALVZHIGCBCF-HNNXBMFYSA-N 1 2 371.489 2.140 10 0 FEAELO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(C)n1-c1nccs1 ZINC000131997452 544214577 /nfs/dbraw/zinc/21/45/77/544214577.db2.gz HVZLYLAHVSTBBW-MRXNPFEDSA-N 1 2 374.510 2.140 10 0 FEAELO Cc1cc(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(C)n1-c1nccs1 ZINC000131997452 544214580 /nfs/dbraw/zinc/21/45/80/544214580.db2.gz HVZLYLAHVSTBBW-MRXNPFEDSA-N 1 2 374.510 2.140 10 0 FEAELO COc1cc2nc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)[nH]c(=O)c2cc1OC ZINC000140354783 544408187 /nfs/dbraw/zinc/40/81/87/544408187.db2.gz BOQIUMALMXTCOC-XCLFUZPHSA-N 1 2 373.453 2.067 10 0 FEAELO COc1cc2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)[nH]c(=O)c2cc1OC ZINC000140354783 544408190 /nfs/dbraw/zinc/40/81/90/544408190.db2.gz BOQIUMALMXTCOC-XCLFUZPHSA-N 1 2 373.453 2.067 10 0 FEAELO Cc1cc(N2CCSCC2)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000150791509 544472652 /nfs/dbraw/zinc/47/26/52/544472652.db2.gz WHYCPKPJRXJAGO-MRXNPFEDSA-N 1 2 364.515 2.000 10 0 FEAELO Cc1cc(N2CCSCC2)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000150791509 544472657 /nfs/dbraw/zinc/47/26/57/544472657.db2.gz WHYCPKPJRXJAGO-MRXNPFEDSA-N 1 2 364.515 2.000 10 0 FEAELO CC(C)(C)NC(=O)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152907396 544709505 /nfs/dbraw/zinc/70/95/05/544709505.db2.gz WWISKLYKFJUTRV-UHFFFAOYSA-N 1 2 356.470 2.374 10 0 FEAELO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1OCC(F)(F)F ZINC000154351588 544895606 /nfs/dbraw/zinc/89/56/06/544895606.db2.gz MGRIEVCMUDBARO-ZDUSSCGKSA-N 1 2 361.364 2.388 10 0 FEAELO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1OCC(F)(F)F ZINC000154351588 544895607 /nfs/dbraw/zinc/89/56/07/544895607.db2.gz MGRIEVCMUDBARO-ZDUSSCGKSA-N 1 2 361.364 2.388 10 0 FEAELO CCCCc1nnc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000154668097 544935285 /nfs/dbraw/zinc/93/52/85/544935285.db2.gz GQANYQIOOVTABQ-CQSZACIVSA-N 1 2 361.471 2.368 10 0 FEAELO CCCCc1nnc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)s1 ZINC000154668097 544935287 /nfs/dbraw/zinc/93/52/87/544935287.db2.gz GQANYQIOOVTABQ-CQSZACIVSA-N 1 2 361.471 2.368 10 0 FEAELO CC(C)C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1nc(-c2nc[nH]n2)no1 ZINC000179805930 327660517 /nfs/dbraw/zinc/66/05/17/327660517.db2.gz HPXHXJSOSNJJIU-STQMWFEESA-N 1 2 356.434 2.343 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)c2cc(C)[nH]c(=O)c2)[NH+]2CCOCC2)s1 ZINC000180522553 327689349 /nfs/dbraw/zinc/68/93/49/327689349.db2.gz BHAWKXIOPYWMHP-OAHLLOKOSA-N 1 2 361.467 2.269 10 0 FEAELO COC1(CNC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)CCC1 ZINC000181797423 327746945 /nfs/dbraw/zinc/74/69/45/327746945.db2.gz SOQVMPQZQMQOKC-OAHLLOKOSA-N 1 2 367.515 2.332 10 0 FEAELO CCOC(=O)N1CC[C@H](NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000185777952 327932631 /nfs/dbraw/zinc/93/26/31/327932631.db2.gz BQWXXNYMQQSUMI-ZBFHGGJFSA-N 1 2 371.441 2.463 10 0 FEAELO O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000187214737 328009368 /nfs/dbraw/zinc/00/93/68/328009368.db2.gz XTYDSVXLVRMGSJ-JKSUJKDBSA-N 1 2 371.403 2.449 10 0 FEAELO C[C@H](NC(=O)NCc1cc(C(N)=O)co1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187351965 328019041 /nfs/dbraw/zinc/01/90/41/328019041.db2.gz QIOWJPQZNYDDIR-LBPRGKRZSA-N 1 2 353.382 2.125 10 0 FEAELO C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000187480473 328028924 /nfs/dbraw/zinc/02/89/24/328028924.db2.gz WSSAHFOVFUJSRJ-HIFRSBDPSA-N 1 2 372.387 2.406 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3oc(C)c(C)c3c2)C[C@@H]1C ZINC000188259476 328076288 /nfs/dbraw/zinc/07/62/88/328076288.db2.gz VTCWAYPOQZEUDS-ZDUSSCGKSA-N 1 2 373.453 2.167 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3oc(C)c(C)c3c2)C[C@@H]1C ZINC000188259476 328076290 /nfs/dbraw/zinc/07/62/90/328076290.db2.gz VTCWAYPOQZEUDS-ZDUSSCGKSA-N 1 2 373.453 2.167 10 0 FEAELO O=C(c1cc(Br)ncc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000188891372 328116145 /nfs/dbraw/zinc/11/61/45/328116145.db2.gz RGUWAUGRHOCQRA-JTQLQIEISA-N 1 2 374.666 2.044 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000189345469 328142097 /nfs/dbraw/zinc/14/20/97/328142097.db2.gz RYWIAZSHYYHWCK-RYQLBKOJSA-N 1 2 361.442 2.197 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](O)COc2cc(C)cc(C)c2)C1 ZINC000189345469 328142098 /nfs/dbraw/zinc/14/20/98/328142098.db2.gz RYWIAZSHYYHWCK-RYQLBKOJSA-N 1 2 361.442 2.197 10 0 FEAELO COCc1noc(CN2CC[NH+](Cc3ccc4ccccc4n3)CC2)n1 ZINC000189619682 328158503 /nfs/dbraw/zinc/15/85/03/328158503.db2.gz SVRPBJUJGCFASJ-UHFFFAOYSA-N 1 2 353.426 2.082 10 0 FEAELO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nnnn1CC(F)(F)F)c1ccccc1 ZINC000190920178 328240270 /nfs/dbraw/zinc/24/02/70/328240270.db2.gz JBIIVYICLAQQPE-KBPBESRZSA-N 1 2 355.364 2.324 10 0 FEAELO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1nnnn1CC(F)(F)F)c1ccccc1 ZINC000190920178 328240271 /nfs/dbraw/zinc/24/02/71/328240271.db2.gz JBIIVYICLAQQPE-KBPBESRZSA-N 1 2 355.364 2.324 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191029396 328246430 /nfs/dbraw/zinc/24/64/30/328246430.db2.gz RZPOFLCXQYQNSU-AWEZNQCLSA-N 1 2 360.376 2.310 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191029396 328246431 /nfs/dbraw/zinc/24/64/31/328246431.db2.gz RZPOFLCXQYQNSU-AWEZNQCLSA-N 1 2 360.376 2.310 10 0 FEAELO CCC(CC)NC(=O)[C@@H](C)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979507 328291518 /nfs/dbraw/zinc/29/15/18/328291518.db2.gz UXFYIUMKUNOLDN-OAHLLOKOSA-N 1 2 369.550 2.418 10 0 FEAELO CCC(CC)NC(=O)[C@@H](C)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191979507 328291519 /nfs/dbraw/zinc/29/15/19/328291519.db2.gz UXFYIUMKUNOLDN-OAHLLOKOSA-N 1 2 369.550 2.418 10 0 FEAELO COC[C@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000194194090 328414788 /nfs/dbraw/zinc/41/47/88/328414788.db2.gz KCCFQVUBVOHNKL-CJNGLKHVSA-N 1 2 355.866 2.047 10 0 FEAELO CCOc1cccc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000027927587 324436200 /nfs/dbraw/zinc/43/62/00/324436200.db2.gz XVWDXWMFKZWEPT-UHFFFAOYSA-N 1 2 356.470 2.394 10 0 FEAELO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)s1 ZINC000055170432 324770976 /nfs/dbraw/zinc/77/09/76/324770976.db2.gz SHTQTSGFWMRJAH-SFHVURJKSA-N 1 2 374.506 2.392 10 0 FEAELO CCCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1 ZINC000080025481 325114085 /nfs/dbraw/zinc/11/40/85/325114085.db2.gz QDZDKSJCAWLOKN-SFHVURJKSA-N 1 2 361.486 2.082 10 0 FEAELO CCCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](NC(C)=O)C2)c1 ZINC000080025481 325114089 /nfs/dbraw/zinc/11/40/89/325114089.db2.gz QDZDKSJCAWLOKN-SFHVURJKSA-N 1 2 361.486 2.082 10 0 FEAELO CNC(=O)CC1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000080710386 325140439 /nfs/dbraw/zinc/14/04/39/325140439.db2.gz VBMIZYYDBGFFMV-HNNXBMFYSA-N 1 2 369.469 2.491 10 0 FEAELO Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000083558895 325219565 /nfs/dbraw/zinc/21/95/65/325219565.db2.gz VCHZQCRSWKGRSI-QGZVFWFLSA-N 1 2 370.457 2.075 10 0 FEAELO C[C@H](CNC(=O)Nc1ccc(F)cc1OCC(F)F)[NH+]1CCOCC1 ZINC000091191858 325378283 /nfs/dbraw/zinc/37/82/83/325378283.db2.gz IUQMBXOOFIBYDX-LLVKDONJSA-N 1 2 361.364 2.312 10 0 FEAELO CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000101783732 325480417 /nfs/dbraw/zinc/48/04/17/325480417.db2.gz LBTMOCNUFSKBJH-KRWDZBQOSA-N 1 2 373.501 2.272 10 0 FEAELO COc1ccccc1CNC(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106371581 325595896 /nfs/dbraw/zinc/59/58/96/325595896.db2.gz MPABANOKQHHMCF-UHFFFAOYSA-N 1 2 356.470 2.227 10 0 FEAELO COc1ccc(F)cc1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000109645735 325672367 /nfs/dbraw/zinc/67/23/67/325672367.db2.gz CAOOLUGGRWELEI-GOSISDBHSA-N 1 2 358.413 2.326 10 0 FEAELO Cc1nc(CN2CCCN(c3cc(C)[nH+]c(-c4ccncc4)n3)CC2)no1 ZINC000112080523 325754316 /nfs/dbraw/zinc/75/43/16/325754316.db2.gz FCKBCQHVMHOIHO-UHFFFAOYSA-N 1 2 365.441 2.251 10 0 FEAELO Cn1cc([C@@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)cn1 ZINC000116424125 326013242 /nfs/dbraw/zinc/01/32/42/326013242.db2.gz CLALIGJIPCBAEX-MRXNPFEDSA-N 1 2 350.426 2.305 10 0 FEAELO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000120735091 326283412 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O=C(c1cccc(F)c1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000156585097 545637429 /nfs/dbraw/zinc/63/74/29/545637429.db2.gz AJWHKTYKXZVFBX-LLVKDONJSA-N 1 2 357.223 2.135 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCCc2ccccn2)nc[nH+]1 ZINC000173432868 546281043 /nfs/dbraw/zinc/28/10/43/546281043.db2.gz VWSDGIWNDWPJRZ-MRXNPFEDSA-N 1 2 354.458 2.021 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCCc2ccccn2)[nH+]cn1 ZINC000173432868 546281045 /nfs/dbraw/zinc/28/10/45/546281045.db2.gz VWSDGIWNDWPJRZ-MRXNPFEDSA-N 1 2 354.458 2.021 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C)c3ccccc23)nc[nH+]1 ZINC000173439000 546281438 /nfs/dbraw/zinc/28/14/38/546281438.db2.gz APJAAOSIYJHKLH-CQSZACIVSA-N 1 2 364.453 2.409 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cn(C)c3ccccc23)[nH+]cn1 ZINC000173439000 546281443 /nfs/dbraw/zinc/28/14/43/546281443.db2.gz APJAAOSIYJHKLH-CQSZACIVSA-N 1 2 364.453 2.409 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C)n(C(C)(C)C)n2)nc[nH+]1 ZINC000173416084 546281681 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COC(=O)C1CCC(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000179448976 546955518 /nfs/dbraw/zinc/95/55/18/546955518.db2.gz NIBLUFCKTINXAW-ACBHZAAOSA-N 1 2 374.481 2.156 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ncccc3C(F)(F)F)CC2)cn1 ZINC000180170170 547062280 /nfs/dbraw/zinc/06/22/80/547062280.db2.gz OETFHQRXGRGDBD-UHFFFAOYSA-N 1 2 367.375 2.182 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ncccc3C(F)(F)F)CC2)cn1 ZINC000180170170 547062282 /nfs/dbraw/zinc/06/22/82/547062282.db2.gz OETFHQRXGRGDBD-UHFFFAOYSA-N 1 2 367.375 2.182 10 0 FEAELO COc1cccc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1OC(F)F ZINC000180229404 547069774 /nfs/dbraw/zinc/06/97/74/547069774.db2.gz OQAKHQKJPCCNML-HIFRSBDPSA-N 1 2 356.413 2.449 10 0 FEAELO COCc1noc([C@@H](C)[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000181848906 547391081 /nfs/dbraw/zinc/39/10/81/547391081.db2.gz JGLKVXDOOKNDJS-KGLIPLIRSA-N 1 2 366.487 2.344 10 0 FEAELO COCc1noc([C@@H](C)[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000181848906 547391086 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CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000184267122 547796823 /nfs/dbraw/zinc/79/68/23/547796823.db2.gz GMKJOPFKSPUJSR-LJQANCHMSA-N 1 2 356.470 2.049 10 0 FEAELO Cc1nc(N2CCN(C(=O)N[C@H](C)COCc3ccccc3)CC2)cc[nH+]1 ZINC000185016187 547918411 /nfs/dbraw/zinc/91/84/11/547918411.db2.gz XHTQDBRYGOHGHY-MRXNPFEDSA-N 1 2 369.469 2.222 10 0 FEAELO CCc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1C ZINC000185891056 548053035 /nfs/dbraw/zinc/05/30/35/548053035.db2.gz WCOKSGYHCJLHRB-QGZVFWFLSA-N 1 2 368.481 2.290 10 0 FEAELO O=C(NC1C[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000185934641 548061882 /nfs/dbraw/zinc/06/18/82/548061882.db2.gz BAVLJGSYOBSBIK-OAHLLOKOSA-N 1 2 356.388 2.209 10 0 FEAELO COCCC1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000186339458 548122311 /nfs/dbraw/zinc/12/23/11/548122311.db2.gz ZCMQIXQHFHRWDL-QGZVFWFLSA-N 1 2 353.507 2.090 10 0 FEAELO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)C(F)(F)F)[NH+]1CCOCC1 ZINC000186586223 548155386 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/nfs/dbraw/zinc/62/53/66/543625366.db2.gz OHQYFRYDBPMFBR-ZDUSSCGKSA-N 1 2 354.882 2.436 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@H](C)c2c(C)n[nH]c2C)nc[nH+]1 ZINC000122713087 543719588 /nfs/dbraw/zinc/71/95/88/543719588.db2.gz AJJWBIKHNDONRO-SWLSCSKDSA-N 1 2 371.489 2.137 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@H](C)c2c(C)n[nH]c2C)[nH+]cn1 ZINC000122713087 543719590 /nfs/dbraw/zinc/71/95/90/543719590.db2.gz AJJWBIKHNDONRO-SWLSCSKDSA-N 1 2 371.489 2.137 10 0 FEAELO C[C@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000122829518 543726116 /nfs/dbraw/zinc/72/61/16/543726116.db2.gz OIHNPJUCMMLDJN-ZIAGYGMSSA-N 1 2 369.303 2.465 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ccc(O)cc2)nc[nH+]1 ZINC000125898455 543907198 /nfs/dbraw/zinc/90/71/98/543907198.db2.gz XDQKWWKSSOZZTD-RZIFZGNASA-N 1 2 353.426 2.022 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ccc(O)cc2)[nH+]cn1 ZINC000125898455 543907202 /nfs/dbraw/zinc/90/72/02/543907202.db2.gz XDQKWWKSSOZZTD-RZIFZGNASA-N 1 2 353.426 2.022 10 0 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/nfs/dbraw/zinc/09/97/55/544099755.db2.gz JUCYKADDGZPPLA-INIZCTEOSA-N 1 2 370.388 2.478 10 0 FEAELO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000130015336 544135246 /nfs/dbraw/zinc/13/52/46/544135246.db2.gz ZYLKGXVFTLUJRW-VXGBXAGGSA-N 1 2 351.497 2.224 10 0 FEAELO C[C@@H](Sc1nc2ccccc2s1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000130015336 544135248 /nfs/dbraw/zinc/13/52/48/544135248.db2.gz ZYLKGXVFTLUJRW-VXGBXAGGSA-N 1 2 351.497 2.224 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2O)C1 ZINC000130682389 544160887 /nfs/dbraw/zinc/16/08/87/544160887.db2.gz VGLSKYVGSIZFLJ-KRWDZBQOSA-N 1 2 356.422 2.032 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc(OCc3ccccc3)ccc2O)C1 ZINC000130682389 544160888 /nfs/dbraw/zinc/16/08/88/544160888.db2.gz VGLSKYVGSIZFLJ-KRWDZBQOSA-N 1 2 356.422 2.032 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC[C@]1(C)CCCO1 ZINC000133089166 544255343 /nfs/dbraw/zinc/25/53/43/544255343.db2.gz UOHDJRKBSJIRKX-YJBOKZPZSA-N 1 2 367.515 2.332 10 0 FEAELO COc1cccc(Nc2ccccc2C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000135422146 544346773 /nfs/dbraw/zinc/34/67/73/544346773.db2.gz PAXFGTXSPYZNMK-QGZVFWFLSA-N 1 2 355.438 2.499 10 0 FEAELO COc1cccc(Nc2ccccc2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000135422146 544346774 /nfs/dbraw/zinc/34/67/74/544346774.db2.gz PAXFGTXSPYZNMK-QGZVFWFLSA-N 1 2 355.438 2.499 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000150952586 544490370 /nfs/dbraw/zinc/49/03/70/544490370.db2.gz BMEXKXAKXXWWTL-DOTOQJQBSA-N 1 2 359.470 2.181 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3OC)C2=O)C1 ZINC000150952586 544490374 /nfs/dbraw/zinc/49/03/74/544490374.db2.gz BMEXKXAKXXWWTL-DOTOQJQBSA-N 1 2 359.470 2.181 10 0 FEAELO CC[C@H](O)C[NH+]1CCN(C(=O)c2cnc(Cc3ccccc3)s2)CC1 ZINC000152564703 544668874 /nfs/dbraw/zinc/66/88/74/544668874.db2.gz MADJMTTTWFUFJD-INIZCTEOSA-N 1 2 359.495 2.263 10 0 FEAELO CCOc1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000154932265 544967223 /nfs/dbraw/zinc/96/72/23/544967223.db2.gz KERSVOCTAKKLKE-GFCCVEGCSA-N 1 2 372.263 2.300 10 0 FEAELO CCOc1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000154932265 544967226 /nfs/dbraw/zinc/96/72/26/544967226.db2.gz KERSVOCTAKKLKE-GFCCVEGCSA-N 1 2 372.263 2.300 10 0 FEAELO Clc1ccc(C2=NO[C@H](C[NH+]3CCN(c4cccnn4)CC3)C2)cc1 ZINC000179606180 327651777 /nfs/dbraw/zinc/65/17/77/327651777.db2.gz UHYKKHNRYXASJO-INIZCTEOSA-N 1 2 357.845 2.445 10 0 FEAELO C[C@@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000179850018 327662211 /nfs/dbraw/zinc/66/22/11/327662211.db2.gz SGXMQNIDVSKWPZ-KBPBESRZSA-N 1 2 352.862 2.386 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2OC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000180275213 327679046 /nfs/dbraw/zinc/67/90/46/327679046.db2.gz YKUSAPQBDBSIGS-TZMCWYRMSA-N 1 2 358.360 2.378 10 0 FEAELO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nc(CS(C)(=O)=O)no2)cc1 ZINC000181406442 327728946 /nfs/dbraw/zinc/72/89/46/327728946.db2.gz GWLVFKQFXIKYDU-CYBMUJFWSA-N 1 2 367.471 2.500 10 0 FEAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181605483 327737921 /nfs/dbraw/zinc/73/79/21/327737921.db2.gz HWGMQDHTQQPJIF-CQSZACIVSA-N 1 2 359.478 2.068 10 0 FEAELO C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000182062458 327759260 /nfs/dbraw/zinc/75/92/60/327759260.db2.gz GNXLDDYHRYZNLE-LLVKDONJSA-N 1 2 354.332 2.118 10 0 FEAELO CC(C)Cn1ncnc1CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000182753679 327787677 /nfs/dbraw/zinc/78/76/77/327787677.db2.gz NHWHARJPHODTSD-UHFFFAOYSA-N 1 2 359.522 2.203 10 0 FEAELO CCCCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182856149 327791360 /nfs/dbraw/zinc/79/13/60/327791360.db2.gz RSIXYWHKSHUOCA-VXGBXAGGSA-N 1 2 352.460 2.471 10 0 FEAELO CCC[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCO1 ZINC000183804123 327836881 /nfs/dbraw/zinc/83/68/81/327836881.db2.gz IQNUEDJVBHDMGR-ZWKOTPCHSA-N 1 2 362.518 2.276 10 0 FEAELO O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184343029 327863162 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C[C@@H](c1nnnn1C1CC1)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000192006854 328293705 /nfs/dbraw/zinc/29/37/05/328293705.db2.gz VWUMRCFKOMROKQ-ZFWWWQNUSA-N 1 2 362.503 2.136 10 0 FEAELO CC(C)c1c(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1-c1ccccc1 ZINC000192335812 328313820 /nfs/dbraw/zinc/31/38/20/328313820.db2.gz WJZQLQYRHHPUGE-INIZCTEOSA-N 1 2 357.458 2.448 10 0 FEAELO CC(C)c1c(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1-c1ccccc1 ZINC000192335812 328313821 /nfs/dbraw/zinc/31/38/21/328313821.db2.gz WJZQLQYRHHPUGE-INIZCTEOSA-N 1 2 357.458 2.448 10 0 FEAELO O=C([C@@H]1CCCc2cccnc21)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192529839 328324219 /nfs/dbraw/zinc/32/42/19/328324219.db2.gz NRRKILBQQKWRSP-UXHICEINSA-N 1 2 365.477 2.379 10 0 FEAELO Cn1c(CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)nnc1C1CC1 ZINC000194988576 328449916 /nfs/dbraw/zinc/44/99/16/328449916.db2.gz ZZOZZAQHOHHMJF-UHFFFAOYSA-N 1 2 354.458 2.394 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000043697581 324547587 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Cc1noc([C@H](C)N2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)n1 ZINC000106134438 325584921 /nfs/dbraw/zinc/58/49/21/325584921.db2.gz ODNDZHDZCZUJEL-KSSFIOAISA-N 1 2 369.469 2.077 10 0 FEAELO Cc1nnc([C@@H](C)N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)o1 ZINC000106141056 325585821 /nfs/dbraw/zinc/58/58/21/325585821.db2.gz JOYFBCONVMUEHQ-OAHLLOKOSA-N 1 2 352.442 2.443 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000106143658 325586257 /nfs/dbraw/zinc/58/62/57/325586257.db2.gz QCBNNKDQBFTTFR-QGZVFWFLSA-N 1 2 355.486 2.182 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000115713823 325974868 /nfs/dbraw/zinc/97/48/68/325974868.db2.gz BSKYHHWJMQKANQ-UHFFFAOYSA-N 1 2 362.861 2.354 10 0 FEAELO CCn1c(C)nnc1C[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000116403285 326011495 /nfs/dbraw/zinc/01/14/95/326011495.db2.gz KEOCOMBUUQMIGF-CYBMUJFWSA-N 1 2 372.391 2.497 10 0 FEAELO CCn1c(C)nnc1C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000116403285 326011498 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Cc1[nH+]c2ccccc2n1CC(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000171811480 327162982 /nfs/dbraw/zinc/16/29/82/327162982.db2.gz ZRUZXTFHTVMHBT-UHFFFAOYSA-N 1 2 364.453 2.182 10 0 FEAELO O=C(C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000171814001 327163117 /nfs/dbraw/zinc/16/31/17/327163117.db2.gz CQBYGAZIZANIJB-SFHVURJKSA-N 1 2 372.852 2.401 10 0 FEAELO CC(C)[C@H](C)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000172500763 327204202 /nfs/dbraw/zinc/20/42/02/327204202.db2.gz BHOSDQUARIUEHD-MSOLQXFVSA-N 1 2 363.502 2.046 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000172553074 327208004 /nfs/dbraw/zinc/20/80/04/327208004.db2.gz RCBXAXNSANHPSQ-IYBDPMFKSA-N 1 2 365.905 2.093 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000172553074 327208006 /nfs/dbraw/zinc/20/80/06/327208006.db2.gz RCBXAXNSANHPSQ-IYBDPMFKSA-N 1 2 365.905 2.093 10 0 FEAELO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172754592 327217290 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C[C@@H](COCc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173337204 327250430 /nfs/dbraw/zinc/25/04/30/327250430.db2.gz QIBZVMYYOXAVTR-HKUYNNGSSA-N 1 2 361.486 2.098 10 0 FEAELO CCc1ccc(OCC(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1 ZINC000173408317 327254257 /nfs/dbraw/zinc/25/42/57/327254257.db2.gz MBHBUFITAFXIBO-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CCc1ccc(OCC(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)cc1 ZINC000173408317 327254258 /nfs/dbraw/zinc/25/42/58/327254258.db2.gz MBHBUFITAFXIBO-MRXNPFEDSA-N 1 2 369.469 2.245 10 0 FEAELO CCSc1ccc(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000173417299 327254783 /nfs/dbraw/zinc/25/47/83/327254783.db2.gz FPNKBZWXJUWMFH-CQSZACIVSA-N 1 2 372.498 2.424 10 0 FEAELO CCSc1ccc(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)cn1 ZINC000173417299 327254786 /nfs/dbraw/zinc/25/47/86/327254786.db2.gz FPNKBZWXJUWMFH-CQSZACIVSA-N 1 2 372.498 2.424 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Oc2cccc(C)c2)nc[nH+]1 ZINC000173443988 327257542 /nfs/dbraw/zinc/25/75/42/327257542.db2.gz BMTTUOGZWLBRRE-JKSUJKDBSA-N 1 2 369.469 2.379 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)Oc2cccc(C)c2)[nH+]cn1 ZINC000173443988 327257543 /nfs/dbraw/zinc/25/75/43/327257543.db2.gz BMTTUOGZWLBRRE-JKSUJKDBSA-N 1 2 369.469 2.379 10 0 FEAELO Cc1csc([C@H]2CCCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)n1 ZINC000173482898 327260425 /nfs/dbraw/zinc/26/04/25/327260425.db2.gz JKFBRRMVGKWTTL-CABCVRRESA-N 1 2 352.504 2.061 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(F)c(C)c2)nc[nH+]1 ZINC000173615474 327271208 /nfs/dbraw/zinc/27/12/08/327271208.db2.gz FDOLIISTMCAMQO-HNNXBMFYSA-N 1 2 372.448 2.434 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ccc(F)c(C)c2)[nH+]cn1 ZINC000173615474 327271210 /nfs/dbraw/zinc/27/12/10/327271210.db2.gz FDOLIISTMCAMQO-HNNXBMFYSA-N 1 2 372.448 2.434 10 0 FEAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccc2c(c1)OCO2 ZINC000173627850 327272391 /nfs/dbraw/zinc/27/23/91/327272391.db2.gz UVDMBNRFHRTIJU-RYUDHWBXSA-N 1 2 357.414 2.021 10 0 FEAELO O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)ccc2N1 ZINC000173732917 327279675 /nfs/dbraw/zinc/27/96/75/327279675.db2.gz LQDYCBUIGHVFGD-OAHLLOKOSA-N 1 2 374.466 2.011 10 0 FEAELO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173773542 327283290 /nfs/dbraw/zinc/28/32/90/327283290.db2.gz LBLUWAJIUQIXPZ-KRWDZBQOSA-N 1 2 374.872 2.381 10 0 FEAELO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n(Cc2ccccc2)n1 ZINC000173793740 327284639 /nfs/dbraw/zinc/28/46/39/327284639.db2.gz IHFMRQMSFKPNCL-SFHVURJKSA-N 1 2 369.469 2.178 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)[nH]n2)cc1 ZINC000173805379 327285381 /nfs/dbraw/zinc/28/53/81/327285381.db2.gz XCEUIIYQNKDUAD-HNAYVOBHSA-N 1 2 354.454 2.178 10 0 FEAELO Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000173824661 327286647 /nfs/dbraw/zinc/28/66/47/327286647.db2.gz KSJPSHJHVOHMGA-HKUYNNGSSA-N 1 2 358.482 2.445 10 0 FEAELO Cc1ccc(C)c(C(=O)CCC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173824674 327286659 /nfs/dbraw/zinc/28/66/59/327286659.db2.gz KSJPSHJHVOHMGA-MJGOQNOKSA-N 1 2 358.482 2.445 10 0 FEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000173865000 327289923 /nfs/dbraw/zinc/28/99/23/327289923.db2.gz UXKCPVAOGRJORA-NEWSRXKRSA-N 1 2 361.486 2.005 10 0 FEAELO CCn1cc(Br)cc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173865159 327289967 /nfs/dbraw/zinc/28/99/67/327289967.db2.gz NFJHYVJWUQKWII-IUODEOHRSA-N 1 2 370.291 2.063 10 0 FEAELO C[C@H]1CN(C(=O)c2cccc(Br)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173870204 327290068 /nfs/dbraw/zinc/29/00/68/327290068.db2.gz GHYFCWHYNIDZST-WFASDCNBSA-N 1 2 353.260 2.242 10 0 FEAELO COc1nc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc2ccccc21 ZINC000173877340 327290530 /nfs/dbraw/zinc/29/05/30/327290530.db2.gz OTMWNLBCUGZBCW-KSSFIOAISA-N 1 2 355.438 2.036 10 0 FEAELO Cc1cc(OCC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000173882769 327291152 /nfs/dbraw/zinc/29/11/52/327291152.db2.gz UCTWPTUKRMWQQS-WMLDXEAASA-N 1 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ZINC000175310312 327386207 /nfs/dbraw/zinc/38/62/07/327386207.db2.gz USPVXVOSSVIEAX-HOTGVXAUSA-N 1 2 369.473 2.333 10 0 FEAELO CC[C@H](NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccncc1 ZINC000175310312 327386208 /nfs/dbraw/zinc/38/62/08/327386208.db2.gz USPVXVOSSVIEAX-HOTGVXAUSA-N 1 2 369.473 2.333 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC[C@H]1CCOC1 ZINC000176224825 327442122 /nfs/dbraw/zinc/44/21/22/327442122.db2.gz ANZHOAIXMDBLBF-HOTGVXAUSA-N 1 2 352.500 2.397 10 0 FEAELO CC[C@H](Oc1ccccc1F)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000247041468 328664696 /nfs/dbraw/zinc/66/46/96/328664696.db2.gz SWIHTWOGIKSHSM-PVAVHDDUSA-N 1 2 350.434 2.162 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc3c1OCC(=O)N3)C2 ZINC000112667311 517490053 /nfs/dbraw/zinc/49/00/53/517490053.db2.gz OKZAVFDKJFYERT-UHFFFAOYSA-N 1 2 354.410 2.073 10 0 FEAELO Cc1cscc1C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000176756845 518192128 /nfs/dbraw/zinc/19/21/28/518192128.db2.gz SBHDAFZESZBENE-MRXNPFEDSA-N 1 2 360.479 2.254 10 0 FEAELO Cn1ccc(NC(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000275807130 523605931 /nfs/dbraw/zinc/60/59/31/523605931.db2.gz TZAGAZDOHAQBLE-ZDUSSCGKSA-N 1 2 360.487 2.395 10 0 FEAELO Cn1ccc(NC(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000275807130 523605942 /nfs/dbraw/zinc/60/59/42/523605942.db2.gz TZAGAZDOHAQBLE-ZDUSSCGKSA-N 1 2 360.487 2.395 10 0 FEAELO COC(=O)c1cccc([C@H](C(=O)OC)[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000156702764 545649246 /nfs/dbraw/zinc/64/92/46/545649246.db2.gz VFBFNPAORYVBSB-QGZVFWFLSA-N 1 2 357.410 2.290 10 0 FEAELO C[C@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159270737 545937899 /nfs/dbraw/zinc/93/78/99/545937899.db2.gz UNZHZHZFCFBNFF-KSSFIOAISA-N 1 2 367.453 2.386 10 0 FEAELO CC(C)c1nc(C2([NH2+]C[C@H](O)COC[C@@H]3CCCO3)CCCC2)no1 ZINC000174240179 546294028 /nfs/dbraw/zinc/29/40/28/546294028.db2.gz RRQWBUVCDGEYHO-GJZGRUSLSA-N 1 2 353.463 2.108 10 0 FEAELO C[C@@H](CNC(=O)N1CCC(N(C)c2ccccc2)CC1)[NH+]1CCOCC1 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C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCC2CCOCC2)c2cccs2)CCO1 ZINC000178624114 546822306 /nfs/dbraw/zinc/82/23/06/546822306.db2.gz PTNWGYBXJFHBRJ-ZBFHGGJFSA-N 1 2 367.515 2.236 10 0 FEAELO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nn1-c1ccc(C)cc1 ZINC000180093592 547049678 /nfs/dbraw/zinc/04/96/78/547049678.db2.gz BZIUIVNROCLOEZ-SFHVURJKSA-N 1 2 369.469 2.428 10 0 FEAELO COc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1OC(F)F ZINC000180111809 547053461 /nfs/dbraw/zinc/05/34/61/547053461.db2.gz LRTZZAUNOVBLGX-CQSZACIVSA-N 1 2 354.357 2.297 10 0 FEAELO COc1ccc(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1OC(F)F ZINC000180111809 547053464 /nfs/dbraw/zinc/05/34/64/547053464.db2.gz LRTZZAUNOVBLGX-CQSZACIVSA-N 1 2 354.357 2.297 10 0 FEAELO CCOCC[N@@H+]1CCN(S(=O)(=O)c2cccc(C)c2Cl)C[C@@H]1C ZINC000180309003 547082573 /nfs/dbraw/zinc/08/25/73/547082573.db2.gz PZVFQQVWPLVMES-AWEZNQCLSA-N 1 2 360.907 2.380 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2cccc(C)c2Cl)C[C@@H]1C ZINC000180309003 547082577 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/nfs/dbraw/zinc/07/24/89/548072489.db2.gz OBQVWOIYLUXELV-AWEZNQCLSA-N 1 2 361.471 2.274 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)CCCOc2ccccc2Br)C1 ZINC000194610577 548505048 /nfs/dbraw/zinc/50/50/48/548505048.db2.gz QEVWJICEQHCLCE-CYBMUJFWSA-N 1 2 371.275 2.055 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)CCCOc2ccccc2Br)C1 ZINC000194610577 548505051 /nfs/dbraw/zinc/50/50/51/548505051.db2.gz QEVWJICEQHCLCE-CYBMUJFWSA-N 1 2 371.275 2.055 10 0 FEAELO Cc1cc(CSc2ccccc2C(=O)NC[C@@H]2C[N@H+](C)CCO2)on1 ZINC000194618142 548506170 /nfs/dbraw/zinc/50/61/70/548506170.db2.gz FGBHTUOODAYTPN-OAHLLOKOSA-N 1 2 361.467 2.336 10 0 FEAELO Cc1cc(CSc2ccccc2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)on1 ZINC000194618142 548506172 /nfs/dbraw/zinc/50/61/72/548506172.db2.gz FGBHTUOODAYTPN-OAHLLOKOSA-N 1 2 361.467 2.336 10 0 FEAELO O=c1cc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)nc2ccccn12 ZINC000195510345 548653428 /nfs/dbraw/zinc/65/34/28/548653428.db2.gz PXBGBMDCZCPTDW-MRXNPFEDSA-N 1 2 364.453 2.350 10 0 FEAELO O=c1cc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)nc2ccccn12 ZINC000195510345 548653433 /nfs/dbraw/zinc/65/34/33/548653433.db2.gz PXBGBMDCZCPTDW-MRXNPFEDSA-N 1 2 364.453 2.350 10 0 FEAELO COc1cccc(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1OC(F)F ZINC000245755950 548989696 /nfs/dbraw/zinc/98/96/96/548989696.db2.gz OQAKHQKJPCCNML-UKRRQHHQSA-N 1 2 356.413 2.449 10 0 FEAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)c3nnnn3-c3ccccc3)C2)no1 ZINC000245850995 549003899 /nfs/dbraw/zinc/00/38/99/549003899.db2.gz LQLKUDSGPMCFOY-HIFRSBDPSA-N 1 2 353.430 2.369 10 0 FEAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)c3nnnn3-c3ccccc3)C2)no1 ZINC000245850995 549003902 /nfs/dbraw/zinc/00/39/02/549003902.db2.gz LQLKUDSGPMCFOY-HIFRSBDPSA-N 1 2 353.430 2.369 10 0 FEAELO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)c1cccc(F)c1 ZINC000246237915 549087052 /nfs/dbraw/zinc/08/70/52/549087052.db2.gz RDTOWONNKYWJGL-BHYGNILZSA-N 1 2 360.433 2.499 10 0 FEAELO CC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(C)C)CCN1C[C@@H](C)O ZINC000246339411 549110172 /nfs/dbraw/zinc/11/01/72/549110172.db2.gz LJHBZFMAKXIOGH-GUDVDZBRSA-N 1 2 364.530 2.327 10 0 FEAELO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C(C)C)CCN1C[C@@H](C)O ZINC000246339411 549110175 /nfs/dbraw/zinc/11/01/75/549110175.db2.gz LJHBZFMAKXIOGH-GUDVDZBRSA-N 1 2 364.530 2.327 10 0 FEAELO Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000246902499 549238445 /nfs/dbraw/zinc/23/84/45/549238445.db2.gz HSLITIRWMTWYRM-LSDHHAIUSA-N 1 2 351.878 2.382 10 0 FEAELO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000246902499 549238452 /nfs/dbraw/zinc/23/84/52/549238452.db2.gz HSLITIRWMTWYRM-LSDHHAIUSA-N 1 2 351.878 2.382 10 0 FEAELO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c(Cl)c1 ZINC000246902499 549238455 /nfs/dbraw/zinc/23/84/55/549238455.db2.gz HSLITIRWMTWYRM-LSDHHAIUSA-N 1 2 351.878 2.382 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CCO2)c1 ZINC000247811140 549383213 /nfs/dbraw/zinc/38/32/13/549383213.db2.gz UYQAUERVOXPDMX-AOIWGVFYSA-N 1 2 356.470 2.158 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CCO2)c1 ZINC000247811140 549383216 /nfs/dbraw/zinc/38/32/16/549383216.db2.gz UYQAUERVOXPDMX-AOIWGVFYSA-N 1 2 356.470 2.158 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)Nc2nncs2)c2cccs2)CCO1 ZINC000248366496 549421411 /nfs/dbraw/zinc/42/14/11/549421411.db2.gz SELMVSLXUOUSPI-GHMZBOCLSA-N 1 2 353.473 2.183 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)Nc2nncs2)c2cccs2)CCO1 ZINC000248366496 549421416 /nfs/dbraw/zinc/42/14/16/549421416.db2.gz SELMVSLXUOUSPI-GHMZBOCLSA-N 1 2 353.473 2.183 10 0 FEAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)Nc2nncs2)c2cccs2)CCO1 ZINC000248366497 549421783 /nfs/dbraw/zinc/42/17/83/549421783.db2.gz SELMVSLXUOUSPI-WDEREUQCSA-N 1 2 353.473 2.183 10 0 FEAELO C[C@H]1C[N@H+]([C@H](CNC(=O)Nc2nncs2)c2cccs2)CCO1 ZINC000248366497 549421789 /nfs/dbraw/zinc/42/17/89/549421789.db2.gz SELMVSLXUOUSPI-WDEREUQCSA-N 1 2 353.473 2.183 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000248652645 549477948 /nfs/dbraw/zinc/47/79/48/549477948.db2.gz UCYZTQVXLQDTLM-ABYLEIOUSA-N 1 2 368.399 2.387 10 0 FEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)NCc1ccc(N2CCCC2=O)cc1 ZINC000249734674 549621252 /nfs/dbraw/zinc/62/12/52/549621252.db2.gz VPHVAHXSIHXCDG-RTBURBONSA-N 1 2 371.481 2.073 10 0 FEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)NCc1ccc(N2CCCC2=O)cc1 ZINC000249734674 549621255 /nfs/dbraw/zinc/62/12/55/549621255.db2.gz VPHVAHXSIHXCDG-RTBURBONSA-N 1 2 371.481 2.073 10 0 FEAELO C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3COc4ccccc43)c[nH+]2)CCO1 ZINC000250214877 549639479 /nfs/dbraw/zinc/63/94/79/549639479.db2.gz SCIFSIVISVNMOQ-YOEHRIQHSA-N 1 2 368.437 2.240 10 0 FEAELO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000252352416 549663124 /nfs/dbraw/zinc/66/31/24/549663124.db2.gz BXTDVKXVLPKDAJ-HZPDHXFCSA-N 1 2 361.486 2.259 10 0 FEAELO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000252352416 549663128 /nfs/dbraw/zinc/66/31/28/549663128.db2.gz BXTDVKXVLPKDAJ-HZPDHXFCSA-N 1 2 361.486 2.259 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000263102384 549878120 /nfs/dbraw/zinc/87/81/20/549878120.db2.gz ZMOPCUMKEDUILD-OLZOCXBDSA-N 1 2 362.323 2.185 10 0 FEAELO C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Oc1ccccc1Br ZINC000263312101 549894194 /nfs/dbraw/zinc/89/41/94/549894194.db2.gz YXHXWNXOLXNFBV-GXSJLCMTSA-N 1 2 363.202 2.330 10 0 FEAELO C[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Oc1ccccc1Br ZINC000263312103 549894366 /nfs/dbraw/zinc/89/43/66/549894366.db2.gz YXHXWNXOLXNFBV-MWLCHTKSSA-N 1 2 363.202 2.330 10 0 FEAELO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000263461951 549902981 /nfs/dbraw/zinc/90/29/81/549902981.db2.gz BYAKKUOADFKAOD-UHFFFAOYSA-N 1 2 354.454 2.290 10 0 FEAELO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000263461951 549902985 /nfs/dbraw/zinc/90/29/85/549902985.db2.gz BYAKKUOADFKAOD-UHFFFAOYSA-N 1 2 354.454 2.290 10 0 FEAELO C[C@](O)(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1cccc(Cl)c1 ZINC000274198249 550527648 /nfs/dbraw/zinc/52/76/48/550527648.db2.gz SROOJEGPXDLHBH-QAPCUYQASA-N 1 2 362.861 2.411 10 0 FEAELO C[C@](O)(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1cccc(Cl)c1 ZINC000274198249 550527650 /nfs/dbraw/zinc/52/76/50/550527650.db2.gz SROOJEGPXDLHBH-QAPCUYQASA-N 1 2 362.861 2.411 10 0 FEAELO Cc1nc(C[C@H]2CCCN(c3cc(N4CCSCC4)nc[nH+]3)C2)no1 ZINC000277316976 550655667 /nfs/dbraw/zinc/65/56/67/550655667.db2.gz DDOFQXDQLYWJJK-CQSZACIVSA-N 1 2 360.487 2.180 10 0 FEAELO Cc1nc(C[C@H]2CCCN(c3cc(N4CCSCC4)[nH+]cn3)C2)no1 ZINC000277316976 550655669 /nfs/dbraw/zinc/65/56/69/550655669.db2.gz DDOFQXDQLYWJJK-CQSZACIVSA-N 1 2 360.487 2.180 10 0 FEAELO CN(C[C@@H]1CCCN1c1cccnn1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000301215444 553631729 /nfs/dbraw/zinc/63/17/29/553631729.db2.gz YKETXXRRCFIZCD-INIZCTEOSA-N 1 2 353.474 2.362 10 0 FEAELO CN(C[C@@H]1CCCN1c1cccnn1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000301215444 553631730 /nfs/dbraw/zinc/63/17/30/553631730.db2.gz YKETXXRRCFIZCD-INIZCTEOSA-N 1 2 353.474 2.362 10 0 FEAELO Cn1cc([C@H](CNc2ccccc2S(=O)(=O)C(F)F)[NH+](C)C)cn1 ZINC000301268795 553637350 /nfs/dbraw/zinc/63/73/50/553637350.db2.gz GELBHHBDRFETIG-ZDUSSCGKSA-N 1 2 358.414 2.131 10 0 FEAELO O=S(=O)(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1cncc(Br)c1 ZINC000044244313 670188493 /nfs/dbraw/zinc/18/84/93/670188493.db2.gz XUJCAHDDMCEXBA-OLZOCXBDSA-N 1 2 371.260 2.113 10 0 FEAELO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000120850046 671936492 /nfs/dbraw/zinc/93/64/92/671936492.db2.gz ACCZXIRMSREAES-CYBMUJFWSA-N 1 2 360.483 2.062 10 0 FEAELO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000120850046 671936496 /nfs/dbraw/zinc/93/64/96/671936496.db2.gz ACCZXIRMSREAES-CYBMUJFWSA-N 1 2 360.483 2.062 10 0 FEAELO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179539570 672402791 /nfs/dbraw/zinc/40/27/91/672402791.db2.gz ZHUXCOWFJXDVKD-YUMQZZPRSA-N 1 2 351.205 2.461 10 0 FEAELO CCc1csc([C@@H]2CCC[N@H+](CN3C(=O)C(=O)N(C(C)C)C3=O)C2)n1 ZINC000195312265 672781940 /nfs/dbraw/zinc/78/19/40/672781940.db2.gz FFDUPXMYGQEHGA-GFCCVEGCSA-N 1 2 364.471 2.042 10 0 FEAELO CCc1csc([C@@H]2CCC[N@@H+](CN3C(=O)C(=O)N(C(C)C)C3=O)C2)n1 ZINC000195312265 672781943 /nfs/dbraw/zinc/78/19/43/672781943.db2.gz FFDUPXMYGQEHGA-GFCCVEGCSA-N 1 2 364.471 2.042 10 0 FEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC000263501008 672934827 /nfs/dbraw/zinc/93/48/27/672934827.db2.gz KTUHEVZURZOZOK-UHFFFAOYSA-N 1 2 358.385 2.324 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(OC)ccc2OC(F)F)C1 ZINC000263501008 672934830 /nfs/dbraw/zinc/93/48/30/672934830.db2.gz KTUHEVZURZOZOK-UHFFFAOYSA-N 1 2 358.385 2.324 10 0 FEAELO COc1ccc2cc(CNC(=O)NC[C@@H](C)[NH+]3CCOCC3)ccc2c1 ZINC000028398266 539831815 /nfs/dbraw/zinc/83/18/15/539831815.db2.gz QCDBZFHNJWLXQL-OAHLLOKOSA-N 1 2 357.454 2.368 10 0 FEAELO Cc1ccc(F)c(OC[C@@H]2C[N@H+](C[C@H](O)COC(C)(C)C)CCO2)c1 ZINC000034671048 539977186 /nfs/dbraw/zinc/97/71/86/539977186.db2.gz UPUBMRBSYDWONZ-HOTGVXAUSA-N 1 2 355.450 2.390 10 0 FEAELO Cc1ccc(F)c(OC[C@@H]2C[N@@H+](C[C@H](O)COC(C)(C)C)CCO2)c1 ZINC000034671048 539977187 /nfs/dbraw/zinc/97/71/87/539977187.db2.gz UPUBMRBSYDWONZ-HOTGVXAUSA-N 1 2 355.450 2.390 10 0 FEAELO O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045276985 540208428 /nfs/dbraw/zinc/20/84/28/540208428.db2.gz UBAYTPOSFNECFC-OAHLLOKOSA-N 1 2 374.466 2.102 10 0 FEAELO C[C@@H](CNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)[NH+]1CCOCC1 ZINC000046258763 540249488 /nfs/dbraw/zinc/24/94/88/540249488.db2.gz CRYZKXSLROCIQJ-HNNXBMFYSA-N 1 2 371.485 2.173 10 0 FEAELO C[C@@H]1C[NH+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)C[C@@H](C)O1 ZINC000051115755 540422509 /nfs/dbraw/zinc/42/25/09/540422509.db2.gz DGIKJHDXAFMJOI-CHWSQXEVSA-N 1 2 360.376 2.353 10 0 FEAELO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)cc1F ZINC000052129749 540455682 /nfs/dbraw/zinc/45/56/82/540455682.db2.gz IUUNXERBFPROMX-INIZCTEOSA-N 1 2 352.450 2.068 10 0 FEAELO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000052311750 540462483 /nfs/dbraw/zinc/46/24/83/540462483.db2.gz MMNXEHCEBRGMDS-DLBZAZTESA-N 1 2 361.486 2.205 10 0 FEAELO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000052311750 540462485 /nfs/dbraw/zinc/46/24/85/540462485.db2.gz MMNXEHCEBRGMDS-DLBZAZTESA-N 1 2 361.486 2.205 10 0 FEAELO CC(=O)Nc1ccc(Cl)c(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000056692697 540739196 /nfs/dbraw/zinc/73/91/96/540739196.db2.gz ZUAAFPLWRBDGSV-LLVKDONJSA-N 1 2 354.838 2.141 10 0 FEAELO O[C@@H](COCc1ccccc1)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000057944704 540825327 /nfs/dbraw/zinc/82/53/27/540825327.db2.gz IEFNQNQCFQZQPL-OAQYLSRUSA-N 1 2 370.493 2.261 10 0 FEAELO CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074219731 542054856 /nfs/dbraw/zinc/05/48/56/542054856.db2.gz GSRCRYIDWUPNGZ-UONOGXRCSA-N 1 2 364.471 2.056 10 0 FEAELO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000077344040 542370693 /nfs/dbraw/zinc/37/06/93/542370693.db2.gz WKOCINRLHDWJSU-KEYYUXOJSA-N 1 2 369.893 2.436 10 0 FEAELO CC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1nn(C)c3cccc(Cl)c13)C2 ZINC000082120438 542684403 /nfs/dbraw/zinc/68/44/03/542684403.db2.gz NJYUZXTXAKPDHR-UHFFFAOYSA-N 1 2 372.860 2.075 10 0 FEAELO CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1nn(C)c3cccc(Cl)c13)C2 ZINC000082120438 542684405 /nfs/dbraw/zinc/68/44/05/542684405.db2.gz NJYUZXTXAKPDHR-UHFFFAOYSA-N 1 2 372.860 2.075 10 0 FEAELO CC[NH+]1CCN(c2ncc(-c3cc(=O)n(-c4ccccc4)[nH]3)c(C)n2)CC1 ZINC000072465338 136148865 /nfs/dbraw/zinc/14/88/65/136148865.db2.gz DQWUMTMTNOAQDJ-UHFFFAOYSA-N 1 2 364.453 2.073 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000101563525 543033492 /nfs/dbraw/zinc/03/34/92/543033492.db2.gz HBQOBUNMXMETDR-KRWDZBQOSA-N 1 2 367.534 2.223 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000101563525 543033494 /nfs/dbraw/zinc/03/34/94/543033494.db2.gz HBQOBUNMXMETDR-KRWDZBQOSA-N 1 2 367.534 2.223 10 0 FEAELO Cc1cc(Cl)ccc1OCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104792042 543144363 /nfs/dbraw/zinc/14/43/63/543144363.db2.gz HTZKIJZEPGUATQ-OAHLLOKOSA-N 1 2 355.866 2.047 10 0 FEAELO Cc1cc(Cl)ccc1OCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104792042 543144366 /nfs/dbraw/zinc/14/43/66/543144366.db2.gz HTZKIJZEPGUATQ-OAHLLOKOSA-N 1 2 355.866 2.047 10 0 FEAELO C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081444 543192424 /nfs/dbraw/zinc/19/24/24/543192424.db2.gz SFEKTUHTTAXGQJ-GFCCVEGCSA-N 1 2 360.849 2.429 10 0 FEAELO CC1CCN(C(=O)C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)CC1 ZINC000106145854 543208237 /nfs/dbraw/zinc/20/82/37/543208237.db2.gz HUXVNEAHCCMLSG-UHFFFAOYSA-N 1 2 361.534 2.014 10 0 FEAELO CN(C(=O)CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1)c1ccccc1 ZINC000106145799 543208708 /nfs/dbraw/zinc/20/87/08/543208708.db2.gz QTDAXUCOLBDSAL-UHFFFAOYSA-N 1 2 369.513 2.419 10 0 FEAELO CCN(C(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1)c1ccccc1 ZINC000106197024 543216901 /nfs/dbraw/zinc/21/69/01/543216901.db2.gz ZVLFFWGEVYVTRQ-HKUYNNGSSA-N 1 2 356.470 2.334 10 0 FEAELO CCN(C(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1)c1ccccc1 ZINC000106197024 543216904 /nfs/dbraw/zinc/21/69/04/543216904.db2.gz ZVLFFWGEVYVTRQ-HKUYNNGSSA-N 1 2 356.470 2.334 10 0 FEAELO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000106199187 543216439 /nfs/dbraw/zinc/21/64/39/543216439.db2.gz ZVUBLMITMTUUOY-LPHOPBHVSA-N 1 2 356.470 2.482 10 0 FEAELO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000106199187 543216441 /nfs/dbraw/zinc/21/64/41/543216441.db2.gz ZVUBLMITMTUUOY-LPHOPBHVSA-N 1 2 356.470 2.482 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)CCO2)c1 ZINC000106198540 543216660 /nfs/dbraw/zinc/21/66/60/543216660.db2.gz XYLNKRBZXUQEEF-ICSRJNTNSA-N 1 2 370.497 2.387 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)CCO2)c1 ZINC000106198540 543216663 /nfs/dbraw/zinc/21/66/63/543216663.db2.gz XYLNKRBZXUQEEF-ICSRJNTNSA-N 1 2 370.497 2.387 10 0 FEAELO C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162187 543211383 /nfs/dbraw/zinc/21/13/83/543211383.db2.gz MMUKABICUJGYLG-SFHVURJKSA-N 1 2 373.522 2.370 10 0 FEAELO C[N@H+](CC(=O)NCc1ccccc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162187 543211386 /nfs/dbraw/zinc/21/13/86/543211386.db2.gz MMUKABICUJGYLG-SFHVURJKSA-N 1 2 373.522 2.370 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N[C@@H](C)c1cccs1 ZINC000107075686 543260905 /nfs/dbraw/zinc/26/09/05/543260905.db2.gz PNTBZXODJXAKAO-LBPRGKRZSA-N 1 2 355.485 2.318 10 0 FEAELO CCc1nc2n(n1)C[C@@H](Nc1[nH+]cnc3c1cnn3-c1ccccc1)CC2 ZINC000108948371 543309172 /nfs/dbraw/zinc/30/91/72/543309172.db2.gz WRMXSSYGKUUSHC-ZDUSSCGKSA-N 1 2 360.425 2.396 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccnc3OC)CC2)cn1 ZINC000109664853 543333336 /nfs/dbraw/zinc/33/33/36/543333336.db2.gz NMLKWKHMEMOGIM-UHFFFAOYSA-N 1 2 357.458 2.045 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccnc3OC)CC2)cn1 ZINC000109664853 543333339 /nfs/dbraw/zinc/33/33/39/543333339.db2.gz NMLKWKHMEMOGIM-UHFFFAOYSA-N 1 2 357.458 2.045 10 0 FEAELO COc1ccc(CN(C)c2cc(N3CCC[C@@H]3CO)nc[nH+]2)c(OC)c1 ZINC000110113304 543349074 /nfs/dbraw/zinc/34/90/74/543349074.db2.gz KRZYMBHDTWHYJQ-OAHLLOKOSA-N 1 2 358.442 2.091 10 0 FEAELO COc1ccc(CN(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)c(OC)c1 ZINC000110113304 543349078 /nfs/dbraw/zinc/34/90/78/543349078.db2.gz KRZYMBHDTWHYJQ-OAHLLOKOSA-N 1 2 358.442 2.091 10 0 FEAELO CC(C)C[C@@H](C)Oc1cc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)ccn1 ZINC000111493175 543404136 /nfs/dbraw/zinc/40/41/36/543404136.db2.gz MLYSHAIRYDQYNJ-WBVHZDCISA-N 1 2 364.490 2.025 10 0 FEAELO CC(C)C[C@@H](C)Oc1cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)ccn1 ZINC000111493175 543404137 /nfs/dbraw/zinc/40/41/37/543404137.db2.gz MLYSHAIRYDQYNJ-WBVHZDCISA-N 1 2 364.490 2.025 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCCOCC(C)C)CC2)s1 ZINC000111807651 543416566 /nfs/dbraw/zinc/41/65/66/543416566.db2.gz FIPQYHZOCJGUHZ-UHFFFAOYSA-N 1 2 354.520 2.341 10 0 FEAELO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000113227185 543478058 /nfs/dbraw/zinc/47/80/58/543478058.db2.gz RTPVJEMUBUQACA-NXEZZACHSA-N 1 2 364.439 2.053 10 0 FEAELO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000113227185 543478059 /nfs/dbraw/zinc/47/80/59/543478059.db2.gz RTPVJEMUBUQACA-NXEZZACHSA-N 1 2 364.439 2.053 10 0 FEAELO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000113921777 543498723 /nfs/dbraw/zinc/49/87/23/543498723.db2.gz GBSNYYWXTRPJDF-UHFFFAOYSA-N 1 2 372.517 2.255 10 0 FEAELO CNc1cc(N2CCC[C@H]2CN[C@@H](C(=O)OC)c2ccccc2F)nc[nH+]1 ZINC000247459947 549336126 /nfs/dbraw/zinc/33/61/26/549336126.db2.gz QJXGTNBBDFWRLY-SCLBCKFNSA-N 1 2 373.432 2.130 10 0 FEAELO Cc1noc(C)c1[C@H](C)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000115389438 543564566 /nfs/dbraw/zinc/56/45/66/543564566.db2.gz ZYBSIYWKNDUOCD-LBPRGKRZSA-N 1 2 359.474 2.090 10 0 FEAELO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000247472362 549338743 /nfs/dbraw/zinc/33/87/43/549338743.db2.gz RTPVJEMUBUQACA-UWVGGRQHSA-N 1 2 364.439 2.053 10 0 FEAELO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000247472362 549338744 /nfs/dbraw/zinc/33/87/44/549338744.db2.gz RTPVJEMUBUQACA-UWVGGRQHSA-N 1 2 364.439 2.053 10 0 FEAELO O=C(NC[C@@H]1CC=CCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000117485828 543633053 /nfs/dbraw/zinc/63/30/53/543633053.db2.gz MBZALZGRTAIMRL-RTBURBONSA-N 1 2 373.497 2.110 10 0 FEAELO Cc1cnn(CCNC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000118081463 543644547 /nfs/dbraw/zinc/64/45/47/543644547.db2.gz JWKMQMCATGGKDY-UHFFFAOYSA-N 1 2 361.877 2.372 10 0 FEAELO Cc1ccc(F)c(OC[C@@H]2C[N@H+](C[C@@H](O)COC(C)(C)C)CCO2)c1 ZINC000105022260 222363655 /nfs/dbraw/zinc/36/36/55/222363655.db2.gz UPUBMRBSYDWONZ-CVEARBPZSA-N 1 2 355.450 2.390 10 0 FEAELO Cc1ccc(F)c(OC[C@@H]2C[N@@H+](C[C@@H](O)COC(C)(C)C)CCO2)c1 ZINC000105022260 222363659 /nfs/dbraw/zinc/36/36/59/222363659.db2.gz UPUBMRBSYDWONZ-CVEARBPZSA-N 1 2 355.450 2.390 10 0 FEAELO Cc1cccc(Cl)c1NC(=O)CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000132830516 544245529 /nfs/dbraw/zinc/24/55/29/544245529.db2.gz MDNLGGIJYNBOIW-GOEBONIOSA-N 1 2 351.878 2.239 10 0 FEAELO Cc1cccc(Cl)c1NC(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000132830516 544245530 /nfs/dbraw/zinc/24/55/30/544245530.db2.gz MDNLGGIJYNBOIW-GOEBONIOSA-N 1 2 351.878 2.239 10 0 FEAELO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000132830516 544245531 /nfs/dbraw/zinc/24/55/31/544245531.db2.gz MDNLGGIJYNBOIW-GOEBONIOSA-N 1 2 351.878 2.239 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OC)C2)s1 ZINC000137047500 544383783 /nfs/dbraw/zinc/38/37/83/544383783.db2.gz HJLPAAFONKPHAK-GFCCVEGCSA-N 1 2 354.476 2.094 10 0 FEAELO CCCCCc1nnc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OC)C2)s1 ZINC000137047500 544383784 /nfs/dbraw/zinc/38/37/84/544383784.db2.gz HJLPAAFONKPHAK-GFCCVEGCSA-N 1 2 354.476 2.094 10 0 FEAELO Cc1c(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cccc1C(=O)N1CCCC1 ZINC000154359882 544896461 /nfs/dbraw/zinc/89/64/61/544896461.db2.gz TYSMEHGOXLEDEK-OAHLLOKOSA-N 1 2 374.485 2.073 10 0 FEAELO COc1cccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1F ZINC000179132149 327627148 /nfs/dbraw/zinc/62/71/48/327627148.db2.gz MUNJDFDCWQOXPW-KRWDZBQOSA-N 1 2 358.413 2.326 10 0 FEAELO C[C@H]1CN(C(=O)c2ccccc2OC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000180275195 327678982 /nfs/dbraw/zinc/67/89/82/327678982.db2.gz YKUSAPQBDBSIGS-JSGCOSHPSA-N 1 2 358.360 2.378 10 0 FEAELO Cc1cc(F)ccc1-n1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000180702632 327698105 /nfs/dbraw/zinc/69/81/05/327698105.db2.gz VEIMQPHGGUJBBU-KXBFYZLASA-N 1 2 372.444 2.113 10 0 FEAELO C[C@H](OC[C@H](O)C[NH+]1CC(NC(=O)C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185938557 327939878 /nfs/dbraw/zinc/93/98/78/327939878.db2.gz DCQYYOFYRWWYJQ-SCLBCKFNSA-N 1 2 366.889 2.379 10 0 FEAELO CCOc1cccc2[nH]cc(CC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c21 ZINC000187480402 328028957 /nfs/dbraw/zinc/02/89/57/328028957.db2.gz XOOKBWZHPGEPJG-INIZCTEOSA-N 1 2 357.454 2.042 10 0 FEAELO C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000188877782 328115481 /nfs/dbraw/zinc/11/54/81/328115481.db2.gz GAAYAIOECSURNG-AWEZNQCLSA-N 1 2 367.453 2.243 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)[nH]n2)c(C)c1 ZINC000189197018 328134257 /nfs/dbraw/zinc/13/42/57/328134257.db2.gz ZYUHFMGTQZHOSZ-INIZCTEOSA-N 1 2 354.454 2.240 10 0 FEAELO C[C@H](O)[C@](C)(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)Cc1ccccc1 ZINC000189647958 328159985 /nfs/dbraw/zinc/15/99/85/328159985.db2.gz UUGZHHHTALOBMO-CDXJDZJCSA-N 1 2 370.497 2.479 10 0 FEAELO C[C@H](O)[C@](C)(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000189647958 328159986 /nfs/dbraw/zinc/15/99/86/328159986.db2.gz UUGZHHHTALOBMO-CDXJDZJCSA-N 1 2 370.497 2.479 10 0 FEAELO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)cc1F ZINC000190698468 328225734 /nfs/dbraw/zinc/22/57/34/328225734.db2.gz ZYZREEJQAPXYFR-HOCLYGCPSA-N 1 2 350.434 2.294 10 0 FEAELO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000192378829 328316679 /nfs/dbraw/zinc/31/66/79/328316679.db2.gz WSQWMKOFKCBUSH-LSDHHAIUSA-N 1 2 370.413 2.006 10 0 FEAELO C[C@H](CNC(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000078555375 325051050 /nfs/dbraw/zinc/05/10/50/325051050.db2.gz BQGIMBMFQMPASV-CYBMUJFWSA-N 1 2 370.291 2.311 10 0 FEAELO CC(C)c1ccc([C@@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000083694161 325221990 /nfs/dbraw/zinc/22/19/90/325221990.db2.gz CUOPRMWTRGWOIX-VQIMIIECSA-N 1 2 363.502 2.206 10 0 FEAELO O=C(Cc1cn2ccccc2[nH+]1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000091760390 325392651 /nfs/dbraw/zinc/39/26/51/325392651.db2.gz HLIHSEOXZBGIEQ-PBHICJAKSA-N 1 2 357.360 2.490 10 0 FEAELO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106085120 325578288 /nfs/dbraw/zinc/57/82/88/325578288.db2.gz BKSBBDGFFPBMOR-UHFFFAOYSA-N 1 2 369.469 2.333 10 0 FEAELO COc1ccc(OC)c(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000115388110 325954831 /nfs/dbraw/zinc/95/48/31/325954831.db2.gz LZXNFFVPKZKZKX-UHFFFAOYSA-N 1 2 372.469 2.012 10 0 FEAELO CCOc1ccc(CC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000115390557 325955369 /nfs/dbraw/zinc/95/53/69/325955369.db2.gz CXCZMIKNQFRCEU-UHFFFAOYSA-N 1 2 370.497 2.323 10 0 FEAELO CCn1c(C)nnc1C[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000116403283 326011982 /nfs/dbraw/zinc/01/19/82/326011982.db2.gz KEOCOMBUUQMIGF-ZDUSSCGKSA-N 1 2 372.391 2.497 10 0 FEAELO CCn1c(C)nnc1C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000116403283 326011986 /nfs/dbraw/zinc/01/19/86/326011986.db2.gz KEOCOMBUUQMIGF-ZDUSSCGKSA-N 1 2 372.391 2.497 10 0 FEAELO Cc1ccccc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117312140 326056682 /nfs/dbraw/zinc/05/66/82/326056682.db2.gz AGIOXCMDEWKBRQ-SFHVURJKSA-N 1 2 354.450 2.193 10 0 FEAELO Cc1cnn(CCNC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000118058420 326078372 /nfs/dbraw/zinc/07/83/72/326078372.db2.gz RMBKANFBMFFCMR-UHFFFAOYSA-N 1 2 356.474 2.466 10 0 FEAELO Cc1cnn(CCNC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1 ZINC000118076889 326079017 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FEAELO COc1sc(CN2CC[C@H]([NH+]3CCOCC3)C2)cc1Br ZINC000120985962 326304179 /nfs/dbraw/zinc/30/41/79/326304179.db2.gz CPWMODFVPVZZMV-NSHDSACASA-N 1 2 361.305 2.426 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000121444175 326339219 /nfs/dbraw/zinc/33/92/19/326339219.db2.gz UWRXZDTUQJGCOO-UHFFFAOYSA-N 1 2 368.529 2.350 10 0 FEAELO CC(=O)Nc1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000121916832 326375551 /nfs/dbraw/zinc/37/55/51/326375551.db2.gz RAYGGFQWKUPPMY-NSHDSACASA-N 1 2 373.375 2.114 10 0 FEAELO CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000132444796 326592745 /nfs/dbraw/zinc/59/27/45/326592745.db2.gz VRIJSVZJTMNSBX-HOTGVXAUSA-N 1 2 374.403 2.008 10 0 FEAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(-c2ccccc2)ccc1Cl ZINC000132980812 326601084 /nfs/dbraw/zinc/60/10/84/326601084.db2.gz ONTJLBNKHCTKAA-QGZVFWFLSA-N 1 2 374.868 2.430 10 0 FEAELO CCCn1nccc1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000154028674 326749571 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CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000170942649 327108916 /nfs/dbraw/zinc/10/89/16/327108916.db2.gz DUAOKDZCOALCDK-QZTJIDSGSA-N 1 2 369.513 2.293 10 0 FEAELO C[C@@H]([NH2+]Cc1nc(-c2cccs2)no1)c1ccc(S(N)(=O)=O)cc1 ZINC000171110279 327118845 /nfs/dbraw/zinc/11/88/45/327118845.db2.gz KNVHMRGNOCIVTB-SNVBAGLBSA-N 1 2 364.452 2.296 10 0 FEAELO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc(OC)c1 ZINC000171405785 327137286 /nfs/dbraw/zinc/13/72/86/327137286.db2.gz HYUJFYUUAPIHHY-AWEZNQCLSA-N 1 2 374.441 2.288 10 0 FEAELO COc1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc(OC)c1 ZINC000171405785 327137288 /nfs/dbraw/zinc/13/72/88/327137288.db2.gz HYUJFYUUAPIHHY-AWEZNQCLSA-N 1 2 374.441 2.288 10 0 FEAELO Cn1cc([C@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC000171455777 327140620 /nfs/dbraw/zinc/14/06/20/327140620.db2.gz KKJLLWPMFMTNIQ-QGZVFWFLSA-N 1 2 354.458 2.462 10 0 FEAELO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1C ZINC000171646254 327151080 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Cc1nnc([C@@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)[nH]1 ZINC000173664339 327274867 /nfs/dbraw/zinc/27/48/67/327274867.db2.gz ULQNVQGNMMCFFC-SFHVURJKSA-N 1 2 369.469 2.313 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)[nH]1 ZINC000173664339 327274868 /nfs/dbraw/zinc/27/48/68/327274868.db2.gz ULQNVQGNMMCFFC-SFHVURJKSA-N 1 2 369.469 2.313 10 0 FEAELO Cc1ccc(OCCCCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173778870 327283546 /nfs/dbraw/zinc/28/35/46/327283546.db2.gz AMOYOMJKXOGSJY-SFHVURJKSA-N 1 2 361.486 2.270 10 0 FEAELO CCOc1ccc(C(=O)CCC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000173813354 327286034 /nfs/dbraw/zinc/28/60/34/327286034.db2.gz VBEXFTRPCSEBSZ-LPHOPBHVSA-N 1 2 374.481 2.227 10 0 FEAELO COc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1OC(C)C ZINC000173824218 327286559 /nfs/dbraw/zinc/28/65/59/327286559.db2.gz JMVUZOGKNPNDDL-DOTOQJQBSA-N 1 2 362.470 2.275 10 0 FEAELO O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173848777 327288852 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C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173946685 327296744 /nfs/dbraw/zinc/29/67/44/327296744.db2.gz WRVDAVGRGDUJCI-KGLIPLIRSA-N 1 2 371.403 2.439 10 0 FEAELO C[C@@H]1CN(C(=O)COc2cccc3ccccc32)C[C@H]1[NH+]1CCOCC1 ZINC000173970313 327298766 /nfs/dbraw/zinc/29/87/66/327298766.db2.gz LXPGGUUVKNTBLG-VQIMIIECSA-N 1 2 354.450 2.398 10 0 FEAELO CC1=NN(c2ccc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)cc2)CC1 ZINC000173972819 327299099 /nfs/dbraw/zinc/29/90/99/327299099.db2.gz ZBQZLOAWLVPXQV-DNVCBOLYSA-N 1 2 356.470 2.065 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000173985879 327299822 /nfs/dbraw/zinc/29/98/22/327299822.db2.gz HSLITIRWMTWYRM-CABCVRRESA-N 1 2 351.878 2.382 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c(Cl)c1 ZINC000173985879 327299823 /nfs/dbraw/zinc/29/98/23/327299823.db2.gz HSLITIRWMTWYRM-CABCVRRESA-N 1 2 351.878 2.382 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c(Cl)c1 ZINC000173985879 327299824 /nfs/dbraw/zinc/29/98/24/327299824.db2.gz HSLITIRWMTWYRM-CABCVRRESA-N 1 2 351.878 2.382 10 0 FEAELO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1ccc(Cl)cc1Cl ZINC000173992312 327300071 /nfs/dbraw/zinc/30/00/71/327300071.db2.gz UQDBCDMMJBKZSP-ZDUSSCGKSA-N 1 2 358.269 2.338 10 0 FEAELO CCSCC[C@@H](C)NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000174279688 327316709 /nfs/dbraw/zinc/31/67/09/327316709.db2.gz QPNCFMCBQNKVJJ-CQSZACIVSA-N 1 2 367.563 2.396 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000174342425 327321193 /nfs/dbraw/zinc/32/11/93/327321193.db2.gz MSIWRYAHMPOIMZ-YLJYHZDGSA-N 1 2 357.498 2.470 10 0 FEAELO COC(C)(C)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174951181 327363505 /nfs/dbraw/zinc/36/35/05/327363505.db2.gz DNJLXKCMZZYTOR-CQSZACIVSA-N 1 2 355.504 2.154 10 0 FEAELO Cc1n[nH]c(C)c1CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175007029 327367456 /nfs/dbraw/zinc/36/74/56/327367456.db2.gz NUCDNIBFBKHWEH-WBMJQRKESA-N 1 2 362.499 2.209 10 0 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350.503 2.341 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C[C@H]1CC ZINC000247554154 549356713 /nfs/dbraw/zinc/35/67/13/549356713.db2.gz SVDVGIYTOZXRES-UJJTZGENSA-N 1 2 350.503 2.341 10 0 FEAELO CCn1cnnc1C1CC[NH+](Cc2nnnn2-c2c(C)cccc2C)CC1 ZINC000155418507 545523666 /nfs/dbraw/zinc/52/36/66/545523666.db2.gz CBLSQJQYCXCKEK-UHFFFAOYSA-N 1 2 366.473 2.270 10 0 FEAELO COC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000155667563 545556439 /nfs/dbraw/zinc/55/64/39/545556439.db2.gz QMGBMUMFIVCZHR-GDBMZVCRSA-N 1 2 374.416 2.243 10 0 FEAELO CCc1cccc(CC(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1 ZINC000157925033 545800459 /nfs/dbraw/zinc/80/04/59/545800459.db2.gz KIQZVDOEGZJVMW-QGZVFWFLSA-N 1 2 353.470 2.408 10 0 FEAELO CCc1cccc(CC(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c1 ZINC000157925033 545800462 /nfs/dbraw/zinc/80/04/62/545800462.db2.gz KIQZVDOEGZJVMW-QGZVFWFLSA-N 1 2 353.470 2.408 10 0 FEAELO C[C@@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159270862 545937972 /nfs/dbraw/zinc/93/79/72/545937972.db2.gz UNZHZHZFCFBNFF-KDOFPFPSSA-N 1 2 367.453 2.386 10 0 FEAELO CCOC(=O)c1cc(=O)c2cc(OC)cc(N3CC[NH+](CC)CC3)c2o1 ZINC000169235906 546159764 /nfs/dbraw/zinc/15/97/64/546159764.db2.gz CSZCLKISXWVDCT-UHFFFAOYSA-N 1 2 360.410 2.120 10 0 FEAELO O=C(NCCOc1ccc2ccccc2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173792513 546286420 /nfs/dbraw/zinc/28/64/20/546286420.db2.gz CVIRMBVKKQCWBA-IBGZPJMESA-N 1 2 369.465 2.335 10 0 FEAELO O=C(c1ccccc1NCc1cccnc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176186642 546417138 /nfs/dbraw/zinc/41/71/38/546417138.db2.gz QJYFSAJROVZJCS-SFHVURJKSA-N 1 2 366.465 2.240 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc3[nH]ccc32)nc[nH+]1 ZINC000176476031 546451560 /nfs/dbraw/zinc/45/15/60/546451560.db2.gz KUBFUCUPQLHIFX-ZDUSSCGKSA-N 1 2 350.426 2.398 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc3[nH]ccc32)[nH+]cn1 ZINC000176476031 546451562 /nfs/dbraw/zinc/45/15/62/546451562.db2.gz KUBFUCUPQLHIFX-ZDUSSCGKSA-N 1 2 350.426 2.398 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc3n[nH]nc3c2)c2cccs2)CCO1 ZINC000176585704 546464169 /nfs/dbraw/zinc/46/41/69/546464169.db2.gz ZWURWCNWCVZXIB-LRDDRELGSA-N 1 2 371.466 2.211 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2ccc3n[nH]nc3c2)c2cccs2)CCO1 ZINC000176585704 546464173 /nfs/dbraw/zinc/46/41/73/546464173.db2.gz ZWURWCNWCVZXIB-LRDDRELGSA-N 1 2 371.466 2.211 10 0 FEAELO Cc1sc(NC(=O)CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)c1C ZINC000177275321 546584496 /nfs/dbraw/zinc/58/44/96/546584496.db2.gz ZNIIKLSOIZJBBU-MLGOLLRUSA-N 1 2 351.516 2.264 10 0 FEAELO CCCn1nc(C)c(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1C ZINC000177409532 546611899 /nfs/dbraw/zinc/61/18/99/546611899.db2.gz KIUOKQAPFHVYHS-IBGZPJMESA-N 1 2 370.497 2.401 10 0 FEAELO O=C(NCc1ccccc1-n1cccn1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177459223 546623257 /nfs/dbraw/zinc/62/32/57/546623257.db2.gz HUUIXFHRULXCNX-QGZVFWFLSA-N 1 2 350.426 2.443 10 0 FEAELO Cc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)CC2=O)cc1 ZINC000177800035 546689108 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CC[N@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000248709008 549487954 /nfs/dbraw/zinc/48/79/54/549487954.db2.gz IIKRHUNUBVOCDZ-CVEARBPZSA-N 1 2 361.486 2.123 10 0 FEAELO CC[N@@H+](CC(=O)[O-])C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000248709008 549487958 /nfs/dbraw/zinc/48/79/58/549487958.db2.gz IIKRHUNUBVOCDZ-CVEARBPZSA-N 1 2 361.486 2.123 10 0 FEAELO C[C@H]1C[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)C[C@H]1N1CCOCC1 ZINC000249293029 549578395 /nfs/dbraw/zinc/57/83/95/549578395.db2.gz APNUFDDHEVVTBL-BLLLJJGKSA-N 1 2 364.396 2.167 10 0 FEAELO C[C@H]1C[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C[C@H]1N1CCOCC1 ZINC000249293029 549578399 /nfs/dbraw/zinc/57/83/99/549578399.db2.gz APNUFDDHEVVTBL-BLLLJJGKSA-N 1 2 364.396 2.167 10 0 FEAELO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)NCCN1CCc2ccccc21 ZINC000249730837 549620659 /nfs/dbraw/zinc/62/06/59/549620659.db2.gz SYIMAFAKIWEHRJ-OAHLLOKOSA-N 1 2 355.404 2.440 10 0 FEAELO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)NCCN1CCc2ccccc21 ZINC000249730837 549620662 /nfs/dbraw/zinc/62/06/62/549620662.db2.gz SYIMAFAKIWEHRJ-OAHLLOKOSA-N 1 2 355.404 2.440 10 0 FEAELO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249776399 549628145 /nfs/dbraw/zinc/62/81/45/549628145.db2.gz WRWKLOAOWVQWCA-LBPRGKRZSA-N 1 2 364.389 2.444 10 0 FEAELO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249776399 549628149 /nfs/dbraw/zinc/62/81/49/549628149.db2.gz WRWKLOAOWVQWCA-LBPRGKRZSA-N 1 2 364.389 2.444 10 0 FEAELO O[C@@H](COCc1ccco1)C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000249800673 549628902 /nfs/dbraw/zinc/62/89/02/549628902.db2.gz ABSMXAOHITWVHA-WBVHZDCISA-N 1 2 360.458 2.312 10 0 FEAELO O[C@@H](COCc1ccco1)C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000249800673 549628906 /nfs/dbraw/zinc/62/89/06/549628906.db2.gz ABSMXAOHITWVHA-WBVHZDCISA-N 1 2 360.458 2.312 10 0 FEAELO O=C(c1cccc(Cl)c1)N1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263036938 549873294 /nfs/dbraw/zinc/87/32/94/549873294.db2.gz SKOHLGXGMNJDMA-CQSZACIVSA-N 1 2 371.815 2.012 10 0 FEAELO CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1)O[C@@H](C)C2 ZINC000263314591 549894218 /nfs/dbraw/zinc/89/42/18/549894218.db2.gz ZGXGILDZBGPNHE-HQRZJTNHSA-N 1 2 366.408 2.378 10 0 FEAELO C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278463252 550789262 /nfs/dbraw/zinc/78/92/62/550789262.db2.gz SZKROXLHNCIWSY-SNVBAGLBSA-N 1 2 366.429 2.403 10 0 FEAELO CC(C)n1cc([C@@]2(O)CCC[N@H+](Cc3nc4ccccc4n3C)C2)nn1 ZINC000285441775 551757247 /nfs/dbraw/zinc/75/72/47/551757247.db2.gz IWKPIKKUVIKVHT-LJQANCHMSA-N 1 2 354.458 2.229 10 0 FEAELO CC(C)n1cc([C@@]2(O)CCC[N@@H+](Cc3nc4ccccc4n3C)C2)nn1 ZINC000285441775 551757248 /nfs/dbraw/zinc/75/72/48/551757248.db2.gz IWKPIKKUVIKVHT-LJQANCHMSA-N 1 2 354.458 2.229 10 0 FEAELO O=c1[nH]c(N2CCC[C@@H]2Cn2cc[nH+]c2)nc2c1cnn2-c1ccccc1 ZINC000301525899 553658543 /nfs/dbraw/zinc/65/85/43/553658543.db2.gz FYBPOLKPOICPQZ-OAHLLOKOSA-N 1 2 361.409 2.387 10 0 FEAELO NC(=O)C[NH+]1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302147227 553707022 /nfs/dbraw/zinc/70/70/22/553707022.db2.gz ILQKBIVWPJXSLK-UHFFFAOYSA-N 1 2 351.863 2.220 10 0 FEAELO CN1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328643269 553801389 /nfs/dbraw/zinc/80/13/89/553801389.db2.gz YRYGBBODINHBRC-AWEZNQCLSA-N 1 2 372.853 2.021 10 0 FEAELO CC(C)(C)OC(=O)Nc1ccc([C@H](O)[C@H]([NH3+])C(=O)OC(C)(C)C)cn1 ZINC000536961407 562583174 /nfs/dbraw/zinc/58/31/74/562583174.db2.gz XXOAJSMEGBVXKB-STQMWFEESA-N 1 2 353.419 2.131 10 0 FEAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000044377503 670189494 /nfs/dbraw/zinc/18/94/94/670189494.db2.gz JSJJODGNTXTFTK-MRXNPFEDSA-N 1 2 354.878 2.274 10 0 FEAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000056316950 670362133 /nfs/dbraw/zinc/36/21/33/670362133.db2.gz NUIBPWULGVRMAA-OAGGEKHMSA-N 1 2 353.507 2.480 10 0 FEAELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000056316950 670362134 /nfs/dbraw/zinc/36/21/34/670362134.db2.gz NUIBPWULGVRMAA-OAGGEKHMSA-N 1 2 353.507 2.480 10 0 FEAELO O=C(NCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000089262690 670696744 /nfs/dbraw/zinc/69/67/44/670696744.db2.gz JHXOTBNDZXSBLP-ZWNOBZJWSA-N 1 2 352.303 2.141 10 0 FEAELO O=C(NCCC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)C(F)(F)F ZINC000089262690 670696747 /nfs/dbraw/zinc/69/67/47/670696747.db2.gz JHXOTBNDZXSBLP-ZWNOBZJWSA-N 1 2 352.303 2.141 10 0 FEAELO Cc1ncc(C[NH+]2CCN(Cn3nccc3-c3cccnc3)CC2)s1 ZINC000111165199 670855069 /nfs/dbraw/zinc/85/50/69/670855069.db2.gz HODQRJNFTXOQGU-UHFFFAOYSA-N 1 2 354.483 2.485 10 0 FEAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cn3nc(N(C)C)sc3=S)C2)n1 ZINC000152732568 672186916 /nfs/dbraw/zinc/18/69/16/672186916.db2.gz VURBPALGFRTZSQ-CYBMUJFWSA-N 1 2 367.548 2.318 10 0 FEAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cn3nc(N(C)C)sc3=S)C2)n1 ZINC000152732568 672186920 /nfs/dbraw/zinc/18/69/20/672186920.db2.gz VURBPALGFRTZSQ-CYBMUJFWSA-N 1 2 367.548 2.318 10 0 FEAELO C[C@@H](CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCOCC1 ZINC000184644881 672504097 /nfs/dbraw/zinc/50/40/97/672504097.db2.gz QDCZJAIXFCTDKV-ZDUSSCGKSA-N 1 2 363.458 2.329 10 0 FEAELO CC(C)COC(=O)C[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190504867 672642685 /nfs/dbraw/zinc/64/26/85/672642685.db2.gz JGWJWUIVAFCDNV-MRXNPFEDSA-N 1 2 356.507 2.314 10 0 FEAELO CC(C)COC(=O)C[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190504867 672642692 /nfs/dbraw/zinc/64/26/92/672642692.db2.gz JGWJWUIVAFCDNV-MRXNPFEDSA-N 1 2 356.507 2.314 10 0 FEAELO C[C@@H]1C[C@H](O)CC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000639942781 677169484 /nfs/dbraw/zinc/16/94/84/677169484.db2.gz ZAMBDFDJHMLTDB-DGCLKSJQSA-N 1 2 362.289 2.068 10 0 FEAELO C[C@@H]1C[C@H](O)CC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000639942781 677169485 /nfs/dbraw/zinc/16/94/85/677169485.db2.gz ZAMBDFDJHMLTDB-DGCLKSJQSA-N 1 2 362.289 2.068 10 0 FEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccccc1Cn1cccn1 ZINC000070693745 541737212 /nfs/dbraw/zinc/73/72/12/541737212.db2.gz OIXIFENSSNQIBC-VQTJNVASSA-N 1 2 368.481 2.191 10 0 FEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)NCc1ccccc1Cn1cccn1 ZINC000070693745 541737216 /nfs/dbraw/zinc/73/72/16/541737216.db2.gz OIXIFENSSNQIBC-VQTJNVASSA-N 1 2 368.481 2.191 10 0 FEAELO CCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000072130779 541785077 /nfs/dbraw/zinc/78/50/77/541785077.db2.gz OTAZSZMVIWVQPY-IBGZPJMESA-N 1 2 353.466 2.447 10 0 FEAELO CCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000072130779 541785078 /nfs/dbraw/zinc/78/50/78/541785078.db2.gz OTAZSZMVIWVQPY-IBGZPJMESA-N 1 2 353.466 2.447 10 0 FEAELO C[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471081 542282201 /nfs/dbraw/zinc/28/22/01/542282201.db2.gz HXHCRBROQWVAMB-KBPBESRZSA-N 1 2 364.471 2.008 10 0 FEAELO C[C@H](NC(=O)N1CCC(CC(N)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471125 542282481 /nfs/dbraw/zinc/28/24/81/542282481.db2.gz GAWVKWPMVBUJHZ-AWEZNQCLSA-N 1 2 355.442 2.230 10 0 FEAELO C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000077366146 542373529 /nfs/dbraw/zinc/37/35/29/542373529.db2.gz QVLLWASWHPLBFD-CHWSQXEVSA-N 1 2 360.376 2.310 10 0 FEAELO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2[C@H](C)COC[C@@H]2C)cc1OC ZINC000077370589 542373809 /nfs/dbraw/zinc/37/38/09/542373809.db2.gz NTGKNMQHVKMGFS-ZNMIVQPWSA-N 1 2 350.459 2.380 10 0 FEAELO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1OC ZINC000077370589 542373813 /nfs/dbraw/zinc/37/38/13/542373813.db2.gz NTGKNMQHVKMGFS-ZNMIVQPWSA-N 1 2 350.459 2.380 10 0 FEAELO CC[C@@H](O)C(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000067805330 221288348 /nfs/dbraw/zinc/28/83/48/221288348.db2.gz DPLFXILXADQOJD-LJQANCHMSA-N 1 2 368.481 2.104 10 0 FEAELO Cc1cc(C)c(-c2[nH+]ccn2[C@H](C)C2N=NC(=O)N2)cc1Cn1cncn1 ZINC000071712302 221355094 /nfs/dbraw/zinc/35/50/94/221355094.db2.gz RSLIEIGLQCEAFL-CYBMUJFWSA-N 1 2 364.413 2.240 10 0 FEAELO C[C@H](C(N)=O)[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000085704791 542732154 /nfs/dbraw/zinc/73/21/54/542732154.db2.gz MCFLGEOGWGQGPA-OAHLLOKOSA-N 1 2 361.449 2.293 10 0 FEAELO CCc1ccc(C(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)cc1 ZINC000224360042 132283377 /nfs/dbraw/zinc/28/33/77/132283377.db2.gz MMCHSFKHOQVCCE-UHFFFAOYSA-N 1 2 355.442 2.194 10 0 FEAELO CN(CCCOc1cccc(Cl)c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104799748 543145053 /nfs/dbraw/zinc/14/50/53/543145053.db2.gz AVQWNUNCBPRZAS-MRXNPFEDSA-N 1 2 355.866 2.081 10 0 FEAELO CN(CCCOc1cccc(Cl)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104799748 543145054 /nfs/dbraw/zinc/14/50/54/543145054.db2.gz AVQWNUNCBPRZAS-MRXNPFEDSA-N 1 2 355.866 2.081 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000104784397 543143914 /nfs/dbraw/zinc/14/39/14/543143914.db2.gz TXWQBKBFGINEBE-KRWDZBQOSA-N 1 2 374.416 2.143 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000104784397 543143916 /nfs/dbraw/zinc/14/39/16/543143916.db2.gz TXWQBKBFGINEBE-KRWDZBQOSA-N 1 2 374.416 2.143 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)c1C ZINC000106070453 543188644 /nfs/dbraw/zinc/18/86/44/543188644.db2.gz VTEMACCYHWKXFV-OAHLLOKOSA-N 1 2 369.469 2.408 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCCN(c3cccnn3)CC2)c1C ZINC000106070453 543188647 /nfs/dbraw/zinc/18/86/47/543188647.db2.gz VTEMACCYHWKXFV-OAHLLOKOSA-N 1 2 369.469 2.408 10 0 FEAELO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070592 543188907 /nfs/dbraw/zinc/18/89/07/543188907.db2.gz UIZAMUQITQRTRZ-ZDUSSCGKSA-N 1 2 360.849 2.064 10 0 FEAELO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070592 543188909 /nfs/dbraw/zinc/18/89/09/543188909.db2.gz UIZAMUQITQRTRZ-ZDUSSCGKSA-N 1 2 360.849 2.064 10 0 FEAELO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)N1CCSc2ccccc21 ZINC000106082180 543192401 /nfs/dbraw/zinc/19/24/01/543192401.db2.gz ZONJNDPGWIZPCH-UHFFFAOYSA-N 1 2 369.494 2.492 10 0 FEAELO CC(C)(C)c1cc(NC(=O)C[NH+]2CCC(Nc3cccnn3)CC2)on1 ZINC000106081904 543192615 /nfs/dbraw/zinc/19/26/15/543192615.db2.gz RLLCIFIIFNHVNM-UHFFFAOYSA-N 1 2 358.446 2.277 10 0 FEAELO CC(C)[C@H](C)NC(=O)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141544 543208037 /nfs/dbraw/zinc/20/80/37/543208037.db2.gz VMSIPICGDYEZKX-SFHVURJKSA-N 1 2 369.513 2.151 10 0 FEAELO CC(C)[C@H](C)NC(=O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106141544 543208038 /nfs/dbraw/zinc/20/80/38/543208038.db2.gz VMSIPICGDYEZKX-SFHVURJKSA-N 1 2 369.513 2.151 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 ZINC000106202989 543217547 /nfs/dbraw/zinc/21/75/47/543217547.db2.gz JJLNNVWMHLYEHD-ICSRJNTNSA-N 1 2 370.497 2.248 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 ZINC000106202989 543217550 /nfs/dbraw/zinc/21/75/50/543217550.db2.gz JJLNNVWMHLYEHD-ICSRJNTNSA-N 1 2 370.497 2.248 10 0 FEAELO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106222616 543220098 /nfs/dbraw/zinc/22/00/98/543220098.db2.gz MDBKEVAUXPFEMM-ZDUSSCGKSA-N 1 2 362.455 2.315 10 0 FEAELO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106222616 543220100 /nfs/dbraw/zinc/22/01/00/543220100.db2.gz MDBKEVAUXPFEMM-ZDUSSCGKSA-N 1 2 362.455 2.315 10 0 FEAELO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000109568335 543327397 /nfs/dbraw/zinc/32/73/97/543327397.db2.gz MWVVSJADKXMWOS-WQVCFCJDSA-N 1 2 367.287 2.390 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)COc3cccc(C=O)c3)CC2)cs1 ZINC000113173815 543476001 /nfs/dbraw/zinc/47/60/01/543476001.db2.gz UQWFSERKEKTPRL-UHFFFAOYSA-N 1 2 373.478 2.377 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)COc3cccc(C=O)c3)CC2)cs1 ZINC000113173815 543476003 /nfs/dbraw/zinc/47/60/03/543476003.db2.gz UQWFSERKEKTPRL-UHFFFAOYSA-N 1 2 373.478 2.377 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCOc2cccc(C)c2)CC1 ZINC000115390090 543565049 /nfs/dbraw/zinc/56/50/49/543565049.db2.gz INYGLNCHAWWXOA-UHFFFAOYSA-N 1 2 370.497 2.459 10 0 FEAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000117246309 543624621 /nfs/dbraw/zinc/62/46/21/543624621.db2.gz ZRPBYUGPRKMSAM-GOEBONIOSA-N 1 2 369.303 2.465 10 0 FEAELO CC[C@@H](Cc1cccc(Br)c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000117246309 543624623 /nfs/dbraw/zinc/62/46/23/543624623.db2.gz ZRPBYUGPRKMSAM-GOEBONIOSA-N 1 2 369.303 2.465 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(N4CCCC4)nc3)CCO2)n1 ZINC000122571694 543711295 /nfs/dbraw/zinc/71/12/95/543711295.db2.gz FMUKTUSRDLYBGH-LJQANCHMSA-N 1 2 355.486 2.396 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)nc3)CCO2)n1 ZINC000122571694 543711296 /nfs/dbraw/zinc/71/12/96/543711296.db2.gz FMUKTUSRDLYBGH-LJQANCHMSA-N 1 2 355.486 2.396 10 0 FEAELO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000127930927 544022754 /nfs/dbraw/zinc/02/27/54/544022754.db2.gz FABFKDROEMHUMW-UHFFFAOYSA-N 1 2 352.870 2.035 10 0 FEAELO CCc1nn(C)c(Cl)c1C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000127930927 544022758 /nfs/dbraw/zinc/02/27/58/544022758.db2.gz FABFKDROEMHUMW-UHFFFAOYSA-N 1 2 352.870 2.035 10 0 FEAELO CCc1nnc([C@H]2C[N@H+](Cc3cccc(OCCCOC)c3)CCO2)[nH]1 ZINC000129178262 544095120 /nfs/dbraw/zinc/09/51/20/544095120.db2.gz MOIBNSURSWJDAJ-QGZVFWFLSA-N 1 2 360.458 2.356 10 0 FEAELO CCc1nnc([C@H]2C[N@@H+](Cc3cccc(OCCCOC)c3)CCO2)[nH]1 ZINC000129178262 544095124 /nfs/dbraw/zinc/09/51/24/544095124.db2.gz MOIBNSURSWJDAJ-QGZVFWFLSA-N 1 2 360.458 2.356 10 0 FEAELO CCc1nnc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(OC)cc3)CCO2)[nH]1 ZINC000129193064 544096298 /nfs/dbraw/zinc/09/62/98/544096298.db2.gz BSCYGYGDKLNWBS-MRXNPFEDSA-N 1 2 368.441 2.339 10 0 FEAELO CCc1nnc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(OC)cc3)CCO2)[nH]1 ZINC000129193064 544096299 /nfs/dbraw/zinc/09/62/99/544096299.db2.gz BSCYGYGDKLNWBS-MRXNPFEDSA-N 1 2 368.441 2.339 10 0 FEAELO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1OCC(=O)N(C)C ZINC000131520331 544193652 /nfs/dbraw/zinc/19/36/52/544193652.db2.gz JSBRTFXOCLZJOK-CQSZACIVSA-N 1 2 350.459 2.316 10 0 FEAELO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1OCC(=O)N(C)C ZINC000131520331 544193655 /nfs/dbraw/zinc/19/36/55/544193655.db2.gz JSBRTFXOCLZJOK-CQSZACIVSA-N 1 2 350.459 2.316 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(OC)c3F)CC2)cn1 ZINC000132838535 544245451 /nfs/dbraw/zinc/24/54/51/544245451.db2.gz PRCWQWREJMEFGL-UHFFFAOYSA-N 1 2 360.433 2.399 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(OC)c3F)CC2)cn1 ZINC000132838535 544245453 /nfs/dbraw/zinc/24/54/53/544245453.db2.gz PRCWQWREJMEFGL-UHFFFAOYSA-N 1 2 360.433 2.399 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cccc(N(C)C)n3)CC2)s1 ZINC000152921713 544712143 /nfs/dbraw/zinc/71/21/43/544712143.db2.gz JKPQXGBUTFVGDH-UHFFFAOYSA-N 1 2 360.487 2.262 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)[nH]1 ZINC000154016599 544853275 /nfs/dbraw/zinc/85/32/75/544853275.db2.gz INZBYBRPWUWSNW-CABCVRRESA-N 1 2 370.375 2.109 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)[nH]1 ZINC000154016599 544853279 /nfs/dbraw/zinc/85/32/79/544853279.db2.gz INZBYBRPWUWSNW-CABCVRRESA-N 1 2 370.375 2.109 10 0 FEAELO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000155188906 544999570 /nfs/dbraw/zinc/99/95/70/544999570.db2.gz UMZCKFBXSXARTP-UHFFFAOYSA-N 1 2 374.510 2.161 10 0 FEAELO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000155188906 544999573 /nfs/dbraw/zinc/99/95/73/544999573.db2.gz UMZCKFBXSXARTP-UHFFFAOYSA-N 1 2 374.510 2.161 10 0 FEAELO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000181715115 327743373 /nfs/dbraw/zinc/74/33/73/327743373.db2.gz VGUPYICWGQFFJC-KSSFIOAISA-N 1 2 367.515 2.354 10 0 FEAELO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000183670232 327829686 /nfs/dbraw/zinc/82/96/86/327829686.db2.gz MDPNGPWYLKOMNB-BEFAXECRSA-N 1 2 369.469 2.365 10 0 FEAELO CCO[C@@H]1C[C@@H](NC(=O)NCc2cn3c(cccc3C)[nH+]2)C12CCOCC2 ZINC000185736570 327930241 /nfs/dbraw/zinc/93/02/41/327930241.db2.gz YPVAUEIUZGLYTH-IAGOWNOFSA-N 1 2 372.469 2.416 10 0 FEAELO O=C(NC1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1)C1CCC1 ZINC000185939546 327940169 /nfs/dbraw/zinc/94/01/69/327940169.db2.gz AJEBXVMPJONKQA-AWEZNQCLSA-N 1 2 373.280 2.334 10 0 FEAELO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000187158684 328005576 /nfs/dbraw/zinc/00/55/76/328005576.db2.gz WPPNVCOKWUTUFX-OAHLLOKOSA-N 1 2 374.934 2.070 10 0 FEAELO Cc1ccc(Br)cc1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000187324979 328016673 /nfs/dbraw/zinc/01/66/73/328016673.db2.gz WCSBIPBFUAKQSM-CYBMUJFWSA-N 1 2 370.291 2.277 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)OCc2ccccc2)nc[nH+]1 ZINC000187661733 328038002 /nfs/dbraw/zinc/03/80/02/328038002.db2.gz MPSXNHXPYASBOK-RDJZCZTQSA-N 1 2 369.469 2.209 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C)OCc2ccccc2)[nH+]cn1 ZINC000187661733 328038004 /nfs/dbraw/zinc/03/80/04/328038004.db2.gz MPSXNHXPYASBOK-RDJZCZTQSA-N 1 2 369.469 2.209 10 0 FEAELO C[C@H](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)N1CCCCC1=O ZINC000188455951 328088020 /nfs/dbraw/zinc/08/80/20/328088020.db2.gz PNTSAPCMOUEBKO-MRXNPFEDSA-N 1 2 359.470 2.248 10 0 FEAELO O=C(CC[N@@H+]1CCO[C@@H](c2nccs2)C1)N1CCc2ccccc2C1 ZINC000189021435 328124175 /nfs/dbraw/zinc/12/41/75/328124175.db2.gz CAVITONDHBEZPF-QGZVFWFLSA-N 1 2 357.479 2.491 10 0 FEAELO O=C(CC[N@H+]1CCO[C@@H](c2nccs2)C1)N1CCc2ccccc2C1 ZINC000189021435 328124177 /nfs/dbraw/zinc/12/41/77/328124177.db2.gz CAVITONDHBEZPF-QGZVFWFLSA-N 1 2 357.479 2.491 10 0 FEAELO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000189133990 328130367 /nfs/dbraw/zinc/13/03/67/328130367.db2.gz UNHMNQGLCIKJMJ-OAHLLOKOSA-N 1 2 356.478 2.242 10 0 FEAELO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000189133990 328130368 /nfs/dbraw/zinc/13/03/68/328130368.db2.gz UNHMNQGLCIKJMJ-OAHLLOKOSA-N 1 2 356.478 2.242 10 0 FEAELO O[C@@H](CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1)CC(F)(F)F ZINC000189190338 328134180 /nfs/dbraw/zinc/13/41/80/328134180.db2.gz SAGHKBFXVQJCSO-QGZVFWFLSA-N 1 2 368.403 2.303 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)[nH]n2)c(C)c1 ZINC000189935485 328177108 /nfs/dbraw/zinc/17/71/08/328177108.db2.gz XFVDWDOFNNORBD-OXJNMPFZSA-N 1 2 368.481 2.486 10 0 FEAELO Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCO[C@H](Cn4cccn4)C3)C2=O)c(C)c1 ZINC000190526482 328214071 /nfs/dbraw/zinc/21/40/71/328214071.db2.gz DAZHNVPTOVWZPR-OALUTQOASA-N 1 2 368.481 2.315 10 0 FEAELO Cc1cc(C)c(N2CC[C@H]([N@H+]3CCO[C@H](Cn4cccn4)C3)C2=O)c(C)c1 ZINC000190526482 328214072 /nfs/dbraw/zinc/21/40/72/328214072.db2.gz DAZHNVPTOVWZPR-OALUTQOASA-N 1 2 368.481 2.315 10 0 FEAELO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000190586704 328217963 /nfs/dbraw/zinc/21/79/63/328217963.db2.gz ZIMJFNREPNXZEE-UHFFFAOYSA-N 1 2 367.515 2.085 10 0 FEAELO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000190586704 328217965 /nfs/dbraw/zinc/21/79/65/328217965.db2.gz ZIMJFNREPNXZEE-UHFFFAOYSA-N 1 2 367.515 2.085 10 0 FEAELO O=C(Nc1ccc2c(c1)C(=O)CCC2)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190746062 328229699 /nfs/dbraw/zinc/22/96/99/328229699.db2.gz IRGZGYFKUBBHEU-MRXNPFEDSA-N 1 2 366.421 2.032 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(C)cc3C)CCO2)cn1 ZINC000190810095 328233960 /nfs/dbraw/zinc/23/39/60/328233960.db2.gz DIEZNPFNKUTEFJ-ICSRJNTNSA-N 1 2 359.470 2.333 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C)cc3C)CCO2)cn1 ZINC000190810095 328233961 /nfs/dbraw/zinc/23/39/61/328233961.db2.gz DIEZNPFNKUTEFJ-ICSRJNTNSA-N 1 2 359.470 2.333 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000191973889 328291065 /nfs/dbraw/zinc/29/10/65/328291065.db2.gz LZDMVGAAXITYMR-UHFFFAOYSA-N 1 2 366.393 2.482 10 0 FEAELO COC(=O)c1occc1C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191978520 328291307 /nfs/dbraw/zinc/29/13/07/328291307.db2.gz MDNCEKZTVABUCO-UHFFFAOYSA-N 1 2 366.458 2.304 10 0 FEAELO CCOC(=O)[C@@H](c1cccc(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000192043077 328296418 /nfs/dbraw/zinc/29/64/18/328296418.db2.gz RXXGKWAMELGPFW-DLBZAZTESA-N 1 2 352.862 2.351 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccc(Br)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000192138907 328301870 /nfs/dbraw/zinc/30/18/70/328301870.db2.gz KQLUKJIHJAKRIF-BXUZGUMPSA-N 1 2 371.250 2.381 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)Nc2cnns2)[NH+]2CCOCC2)s1 ZINC000192326594 328313416 /nfs/dbraw/zinc/31/34/16/328313416.db2.gz INAYVAHTHHDFCN-LLVKDONJSA-N 1 2 353.473 2.103 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCc3cccnc32)nc[nH+]1 ZINC000192650733 328330883 /nfs/dbraw/zinc/33/08/83/328330883.db2.gz QJCLBBLQGYKNDX-JKSUJKDBSA-N 1 2 366.469 2.118 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCc3cccnc32)[nH+]cn1 ZINC000192650733 328330884 /nfs/dbraw/zinc/33/08/84/328330884.db2.gz QJCLBBLQGYKNDX-JKSUJKDBSA-N 1 2 366.469 2.118 10 0 FEAELO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CCCO1 ZINC000041918671 324517217 /nfs/dbraw/zinc/51/72/17/324517217.db2.gz FNYMLKOJRDKZNH-SUMWQHHRSA-N 1 2 370.453 2.385 10 0 FEAELO Cc1[nH+]c2ccccc2n1CC(=O)N(C)C[C@H](O)COCc1ccccc1 ZINC000081966935 325205421 /nfs/dbraw/zinc/20/54/21/325205421.db2.gz NTIUJUJUDMCJLQ-SFHVURJKSA-N 1 2 367.449 2.381 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(CCOC)c2C)C1 ZINC000085791642 325258360 /nfs/dbraw/zinc/25/83/60/325258360.db2.gz OXAWBNVKAALYNV-KRWDZBQOSA-N 1 2 363.502 2.315 10 0 FEAELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(CCOC)c2C)C1 ZINC000085791642 325258365 /nfs/dbraw/zinc/25/83/65/325258365.db2.gz OXAWBNVKAALYNV-KRWDZBQOSA-N 1 2 363.502 2.315 10 0 FEAELO CCCC(=O)N[C@@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000101792165 325480686 /nfs/dbraw/zinc/48/06/86/325480686.db2.gz DDVUFTSZSKDYQV-QGZVFWFLSA-N 1 2 373.501 2.141 10 0 FEAELO c1nnc2ccc(N3CC[NH+](Cc4coc(-c5ccccc5)n4)CC3)nn12 ZINC000106092716 325579079 /nfs/dbraw/zinc/57/90/79/325579079.db2.gz KNAVCEXEGONQBS-UHFFFAOYSA-N 1 2 361.409 2.102 10 0 FEAELO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000106738663 325608688 /nfs/dbraw/zinc/60/86/88/325608688.db2.gz WSNJCDHVQMLMIZ-KRWDZBQOSA-N 1 2 358.486 2.059 10 0 FEAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCS(=O)(=O)c1ccccc1 ZINC000106911986 325615393 /nfs/dbraw/zinc/61/53/93/325615393.db2.gz ZSNYBDUTQLUSNX-LJQANCHMSA-N 1 2 374.506 2.140 10 0 FEAELO COc1cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)ccc1SC ZINC000109328775 325665247 /nfs/dbraw/zinc/66/52/47/325665247.db2.gz BARGNFKWRXRFKJ-UHFFFAOYSA-N 1 2 370.482 2.177 10 0 FEAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000117522540 326063931 /nfs/dbraw/zinc/06/39/31/326063931.db2.gz XBDUZBNPPPKADH-LLVKDONJSA-N 1 2 374.268 2.111 10 0 FEAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000117522540 326063933 /nfs/dbraw/zinc/06/39/33/326063933.db2.gz XBDUZBNPPPKADH-LLVKDONJSA-N 1 2 374.268 2.111 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)CCNC(=O)CC(C)C)CC2)cs1 ZINC000119206133 326137299 /nfs/dbraw/zinc/13/72/99/326137299.db2.gz KUBKLZTYYYNEPN-UHFFFAOYSA-N 1 2 366.531 2.038 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)CCNC(=O)CC(C)C)CC2)cs1 ZINC000119206133 326137301 /nfs/dbraw/zinc/13/73/01/326137301.db2.gz KUBKLZTYYYNEPN-UHFFFAOYSA-N 1 2 366.531 2.038 10 0 FEAELO C[C@H](NC[C@@H]1C[N@H+](C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322223 326149269 /nfs/dbraw/zinc/14/92/69/326149269.db2.gz IPSLUOISUROMOH-SWLSCSKDSA-N 1 2 350.850 2.295 10 0 FEAELO C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322223 326149273 /nfs/dbraw/zinc/14/92/73/326149273.db2.gz IPSLUOISUROMOH-SWLSCSKDSA-N 1 2 350.850 2.295 10 0 FEAELO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322223 326149276 /nfs/dbraw/zinc/14/92/76/326149276.db2.gz IPSLUOISUROMOH-SWLSCSKDSA-N 1 2 350.850 2.295 10 0 FEAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCNC(=O)C2CCCCC2)C1 ZINC000119515917 326170314 /nfs/dbraw/zinc/17/03/14/326170314.db2.gz KQRYWAYZDIRNQI-INIZCTEOSA-N 1 2 360.502 2.288 10 0 FEAELO C[C@H]1C[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@@H]1N1CCOCC1 ZINC000119687736 326187930 /nfs/dbraw/zinc/18/79/30/326187930.db2.gz OOKYGVWKEFVJJQ-KSSFIOAISA-N 1 2 361.877 2.073 10 0 FEAELO C[C@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@@H]1N1CCOCC1 ZINC000119687736 326187935 /nfs/dbraw/zinc/18/79/35/326187935.db2.gz OOKYGVWKEFVJJQ-KSSFIOAISA-N 1 2 361.877 2.073 10 0 FEAELO COc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c2c1 ZINC000119852746 326205316 /nfs/dbraw/zinc/20/53/16/326205316.db2.gz PBIGCXGQSFMDKD-OAHLLOKOSA-N 1 2 355.438 2.181 10 0 FEAELO COc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2c1 ZINC000119852746 326205319 /nfs/dbraw/zinc/20/53/19/326205319.db2.gz PBIGCXGQSFMDKD-OAHLLOKOSA-N 1 2 355.438 2.181 10 0 FEAELO CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000120734628 326283356 /nfs/dbraw/zinc/28/33/56/326283356.db2.gz KSUZTRYJFZDZJN-RDJZCZTQSA-N 1 2 369.469 2.443 10 0 FEAELO O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000120883948 326296314 /nfs/dbraw/zinc/29/63/14/326296314.db2.gz OKDCEQYIXMNJGM-HNNXBMFYSA-N 1 2 360.845 2.277 10 0 FEAELO CC[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000120971240 326303562 /nfs/dbraw/zinc/30/35/62/326303562.db2.gz XRBCAJKDWFMYQV-FUHWJXTLSA-N 1 2 364.486 2.170 10 0 FEAELO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCN1CCOC ZINC000120971240 326303564 /nfs/dbraw/zinc/30/35/64/326303564.db2.gz XRBCAJKDWFMYQV-FUHWJXTLSA-N 1 2 364.486 2.170 10 0 FEAELO CCOC(=O)c1ccc(C[NH+]2CCN([C@@H](C)c3nc(CC)no3)CC2)o1 ZINC000121415124 326336959 /nfs/dbraw/zinc/33/69/59/326336959.db2.gz VBFQROUSHHXOOB-ZDUSSCGKSA-N 1 2 362.430 2.281 10 0 FEAELO CCN(CCS(C)(=O)=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121731369 326361970 /nfs/dbraw/zinc/36/19/70/326361970.db2.gz AJUHIVXREAIZRH-CQSZACIVSA-N 1 2 364.471 2.009 10 0 FEAELO C[C@@H](CNC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)[NH+]1CCOCC1 ZINC000125117141 326465450 /nfs/dbraw/zinc/46/54/50/326465450.db2.gz ULXHOGCJFLQTJM-HNAYVOBHSA-N 1 2 372.444 2.330 10 0 FEAELO Cc1ccc(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)c(F)c2)cc1 ZINC000128056342 326517270 /nfs/dbraw/zinc/51/72/70/326517270.db2.gz BPCUSEKAEAPPPE-GOSISDBHSA-N 1 2 372.440 2.224 10 0 FEAELO Cc1c(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cnn1-c1ccccc1F ZINC000157264255 326860443 /nfs/dbraw/zinc/86/04/43/326860443.db2.gz RPIVSELPLIDWOO-CYBMUJFWSA-N 1 2 361.421 2.162 10 0 FEAELO COCCC1(C(=O)N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000162535521 327028086 /nfs/dbraw/zinc/02/80/86/327028086.db2.gz RRALUMJOOMSATF-UHFFFAOYSA-N 1 2 368.481 2.333 10 0 FEAELO C[C@H]1CN(C(=O)COc2ccc3c(c2)CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000164421956 327070025 /nfs/dbraw/zinc/07/00/25/327070025.db2.gz BCOMHRVHLGBGMG-JXFKEZNVSA-N 1 2 358.482 2.123 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)n1 ZINC000170942611 327108934 /nfs/dbraw/zinc/10/89/34/327108934.db2.gz RQBUTMLGKNOJNB-YJBOKZPZSA-N 1 2 371.485 2.140 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000171288347 327130111 /nfs/dbraw/zinc/13/01/11/327130111.db2.gz WWWQDEOXUALVFR-QGZVFWFLSA-N 1 2 367.449 2.249 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000171288347 327130114 /nfs/dbraw/zinc/13/01/14/327130114.db2.gz WWWQDEOXUALVFR-QGZVFWFLSA-N 1 2 367.449 2.249 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCC3CCOCC3)CC2)cs1 ZINC000172181182 327185780 /nfs/dbraw/zinc/18/57/80/327185780.db2.gz YFRVIKMIEPUTRM-UHFFFAOYSA-N 1 2 352.504 2.095 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCC3CCOCC3)CC2)cs1 ZINC000172181182 327185782 /nfs/dbraw/zinc/18/57/82/327185782.db2.gz YFRVIKMIEPUTRM-UHFFFAOYSA-N 1 2 352.504 2.095 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)cn1 ZINC000172627492 327212538 /nfs/dbraw/zinc/21/25/38/327212538.db2.gz MAPKZZWPAPXMNO-HXUWFJFHSA-N 1 2 368.481 2.331 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)cn1 ZINC000172627492 327212539 /nfs/dbraw/zinc/21/25/39/327212539.db2.gz MAPKZZWPAPXMNO-HXUWFJFHSA-N 1 2 368.481 2.331 10 0 FEAELO O=C(COc1cc(Cl)ccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172762608 327217733 /nfs/dbraw/zinc/21/77/33/327217733.db2.gz PJZQXRABMCAQDP-CYBMUJFWSA-N 1 2 359.253 2.305 10 0 FEAELO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1C ZINC000172763179 327217745 /nfs/dbraw/zinc/21/77/45/327217745.db2.gz QCEROXZCJDMLAB-QGZVFWFLSA-N 1 2 354.454 2.036 10 0 FEAELO CCCCCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173351407 327251296 /nfs/dbraw/zinc/25/12/96/327251296.db2.gz SKJFRTOBYQQZFC-IBGZPJMESA-N 1 2 373.497 2.291 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCOc2cccc(C)c2)nc[nH+]1 ZINC000173413762 327254641 /nfs/dbraw/zinc/25/46/41/327254641.db2.gz QRNPCOCAFYRYPL-MRXNPFEDSA-N 1 2 369.469 2.381 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)CCOc2cccc(C)c2)[nH+]cn1 ZINC000173413762 327254643 /nfs/dbraw/zinc/25/46/43/327254643.db2.gz QRNPCOCAFYRYPL-MRXNPFEDSA-N 1 2 369.469 2.381 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccc(F)cc2)nc[nH+]1 ZINC000173419931 327255219 /nfs/dbraw/zinc/25/52/19/327255219.db2.gz UBPSCKIDVGKIDQ-MRXNPFEDSA-N 1 2 372.448 2.468 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)Cc2ccc(F)cc2)[nH+]cn1 ZINC000173419931 327255223 /nfs/dbraw/zinc/25/52/23/327255223.db2.gz UBPSCKIDVGKIDQ-MRXNPFEDSA-N 1 2 372.448 2.468 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3c(c2)CCC3)nc[nH+]1 ZINC000173424390 327255466 /nfs/dbraw/zinc/25/54/66/327255466.db2.gz AOOLFKRDYGNGCR-QGZVFWFLSA-N 1 2 351.454 2.406 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc3c(c2)CCC3)[nH+]cn1 ZINC000173424390 327255468 /nfs/dbraw/zinc/25/54/68/327255468.db2.gz AOOLFKRDYGNGCR-QGZVFWFLSA-N 1 2 351.454 2.406 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccccc2OC)nc[nH+]1 ZINC000173429730 327256207 /nfs/dbraw/zinc/25/62/07/327256207.db2.gz JKSMTEDYWBRTLX-INIZCTEOSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCc2ccccc2OC)[nH+]cn1 ZINC000173429730 327256208 /nfs/dbraw/zinc/25/62/08/327256208.db2.gz JKSMTEDYWBRTLX-INIZCTEOSA-N 1 2 369.469 2.245 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)COc2cc(C)ccc2C)nc[nH+]1 ZINC000173443688 327257462 /nfs/dbraw/zinc/25/74/62/327257462.db2.gz ZJUIAQQNFAZVBB-MRXNPFEDSA-N 1 2 369.469 2.299 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)COc2cc(C)ccc2C)[nH+]cn1 ZINC000173443688 327257464 /nfs/dbraw/zinc/25/74/64/327257464.db2.gz ZJUIAQQNFAZVBB-MRXNPFEDSA-N 1 2 369.469 2.299 10 0 FEAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)N1CCc2sccc2C1 ZINC000173621773 327271775 /nfs/dbraw/zinc/27/17/75/327271775.db2.gz CZHCWVJGFRPHDM-QWHCGFSZSA-N 1 2 359.499 2.300 10 0 FEAELO Cc1nnc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CCO2)[nH]1 ZINC000173677533 327275912 /nfs/dbraw/zinc/27/59/12/327275912.db2.gz DRGORCDHAGASEJ-AWEZNQCLSA-N 1 2 367.812 2.308 10 0 FEAELO Cc1nnc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CCO2)[nH]1 ZINC000173677533 327275913 /nfs/dbraw/zinc/27/59/13/327275913.db2.gz DRGORCDHAGASEJ-AWEZNQCLSA-N 1 2 367.812 2.308 10 0 FEAELO O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173767885 327282779 /nfs/dbraw/zinc/28/27/79/327282779.db2.gz JNDDXECLMMDCJN-GOEBONIOSA-N 1 2 365.474 2.479 10 0 FEAELO O=C(NCc1cccnc1OC1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173783878 327283901 /nfs/dbraw/zinc/28/39/01/327283901.db2.gz MOTNVWQWBJYBOQ-KRWDZBQOSA-N 1 2 374.485 2.019 10 0 FEAELO Cc1nc(-c2c[nH]c(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2)cs1 ZINC000173806000 327285581 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O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000263283195 549892191 /nfs/dbraw/zinc/89/21/91/549892191.db2.gz UOZRGLBPBJETJC-AWEZNQCLSA-N 1 2 361.396 2.175 10 0 FEAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263283195 549892193 /nfs/dbraw/zinc/89/21/93/549892193.db2.gz UOZRGLBPBJETJC-AWEZNQCLSA-N 1 2 361.396 2.175 10 0 FEAELO COc1nc(NCc2cc[nH+]c(N(C)C)c2)nc(N2CCCCCC2)n1 ZINC000301475085 553654370 /nfs/dbraw/zinc/65/43/70/553654370.db2.gz ANITULLWPRYDKB-UHFFFAOYSA-N 1 2 357.462 2.334 10 0 FEAELO Clc1cccc(COc2cncc(NC[C@@H]3C[NH+]4CCN3CC4)n2)c1 ZINC000301792464 553679594 /nfs/dbraw/zinc/67/95/94/553679594.db2.gz RQWMQNLSVFRRRB-MRXNPFEDSA-N 1 2 359.861 2.121 10 0 FEAELO C[C@H](OCC1CC1)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328620634 553797223 /nfs/dbraw/zinc/79/72/23/553797223.db2.gz HEJWQSZYHWXZDH-DOTOQJQBSA-N 1 2 359.470 2.477 10 0 FEAELO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1noc2c1CCCC2 ZINC000328627198 553798617 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C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(OC(F)(F)F)cc1 ZINC000104781960 543143721 /nfs/dbraw/zinc/14/37/21/543143721.db2.gz XBHSIAXJURUVKS-FZMZJTMJSA-N 1 2 361.364 2.276 10 0 FEAELO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(OC(F)(F)F)cc1 ZINC000104781960 543143724 /nfs/dbraw/zinc/14/37/24/543143724.db2.gz XBHSIAXJURUVKS-FZMZJTMJSA-N 1 2 361.364 2.276 10 0 FEAELO CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1OC(F)F ZINC000104788999 543144051 /nfs/dbraw/zinc/14/40/51/543144051.db2.gz JBSNVNHDFZOUIB-TZMCWYRMSA-N 1 2 357.401 2.369 10 0 FEAELO CC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1OC(F)F ZINC000104788999 543144053 /nfs/dbraw/zinc/14/40/53/543144053.db2.gz JBSNVNHDFZOUIB-TZMCWYRMSA-N 1 2 357.401 2.369 10 0 FEAELO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104791130 543144633 /nfs/dbraw/zinc/14/46/33/543144633.db2.gz AEJOHPNDRHLBIQ-MAUKXSAKSA-N 1 2 363.502 2.381 10 0 FEAELO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104791130 543144635 /nfs/dbraw/zinc/14/46/35/543144635.db2.gz AEJOHPNDRHLBIQ-MAUKXSAKSA-N 1 2 363.502 2.381 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082515 543192538 /nfs/dbraw/zinc/19/25/38/543192538.db2.gz PPWRMEZGYWPRRN-UHFFFAOYSA-N 1 2 353.426 2.194 10 0 FEAELO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084914 543193124 /nfs/dbraw/zinc/19/31/24/543193124.db2.gz XMZDKVDJIWXDHU-CQSZACIVSA-N 1 2 364.453 2.375 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)s1 ZINC000106091374 543194517 /nfs/dbraw/zinc/19/45/17/543194517.db2.gz PVDZTLDBFWWKNM-UHFFFAOYSA-N 1 2 366.437 2.486 10 0 FEAELO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1)C(C)C ZINC000106096833 543195210 /nfs/dbraw/zinc/19/52/10/543195210.db2.gz MBONQHIVPXTOHL-UYAOXDASSA-N 1 2 361.530 2.372 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000106142138 543207775 /nfs/dbraw/zinc/20/77/75/543207775.db2.gz BYBIVHUUEKNQDW-INIZCTEOSA-N 1 2 363.550 2.048 10 0 FEAELO Cc1nn(C)c(C)c1CN1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000106142138 543207776 /nfs/dbraw/zinc/20/77/76/543207776.db2.gz BYBIVHUUEKNQDW-INIZCTEOSA-N 1 2 363.550 2.048 10 0 FEAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000106157532 543209978 /nfs/dbraw/zinc/20/99/78/543209978.db2.gz AZDONYWTAIEIOT-IEBWSBKVSA-N 1 2 361.534 2.107 10 0 FEAELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000106157532 543209979 /nfs/dbraw/zinc/20/99/79/543209979.db2.gz AZDONYWTAIEIOT-IEBWSBKVSA-N 1 2 361.534 2.107 10 0 FEAELO C[N@@H+](CC(=O)Nc1nccs1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161166 543210575 /nfs/dbraw/zinc/21/05/75/543210575.db2.gz UTWHPLZHCYTUCY-ZDUSSCGKSA-N 1 2 366.512 2.148 10 0 FEAELO C[N@H+](CC(=O)Nc1nccs1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161166 543210580 /nfs/dbraw/zinc/21/05/80/543210580.db2.gz UTWHPLZHCYTUCY-ZDUSSCGKSA-N 1 2 366.512 2.148 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](CC(=O)N(Cc3ccccc3)C3CC3)CCO2)c1 ZINC000106194594 543216072 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2.312 10 0 FEAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCc2sccc2C1 ZINC000107075562 543260884 /nfs/dbraw/zinc/26/08/84/543260884.db2.gz XSZBKRPYHSJKOH-UHFFFAOYSA-N 1 2 367.496 2.025 10 0 FEAELO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(C)C)CCN1C[C@@H](C)O ZINC000107074286 543261122 /nfs/dbraw/zinc/26/11/22/543261122.db2.gz LJHBZFMAKXIOGH-QRVBRYPASA-N 1 2 364.530 2.327 10 0 FEAELO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C(C)C)CCN1C[C@@H](C)O ZINC000107074286 543261125 /nfs/dbraw/zinc/26/11/25/543261125.db2.gz LJHBZFMAKXIOGH-QRVBRYPASA-N 1 2 364.530 2.327 10 0 FEAELO COc1ccccc1[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000108441464 543290141 /nfs/dbraw/zinc/29/01/41/543290141.db2.gz MVIYBBWDBOEBHT-PXNSSMCTSA-N 1 2 369.465 2.414 10 0 FEAELO COc1ccccc1[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000108441464 543290144 /nfs/dbraw/zinc/29/01/44/543290144.db2.gz MVIYBBWDBOEBHT-PXNSSMCTSA-N 1 2 369.465 2.414 10 0 FEAELO COc1ccccc1[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000108441461 543290243 /nfs/dbraw/zinc/29/02/43/543290243.db2.gz MVIYBBWDBOEBHT-XLIONFOSSA-N 1 2 369.465 2.414 10 0 FEAELO COc1ccccc1[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000108441461 543290244 /nfs/dbraw/zinc/29/02/44/543290244.db2.gz MVIYBBWDBOEBHT-XLIONFOSSA-N 1 2 369.465 2.414 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cn1 ZINC000109657158 543332242 /nfs/dbraw/zinc/33/22/42/543332242.db2.gz RMKDAOFBYVUFSS-UHFFFAOYSA-N 1 2 367.375 2.182 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cn1 ZINC000109657158 543332245 /nfs/dbraw/zinc/33/22/45/543332245.db2.gz RMKDAOFBYVUFSS-UHFFFAOYSA-N 1 2 367.375 2.182 10 0 FEAELO CCn1cc(C2CC[NH+](Cc3noc(CCCC(=O)OC)n3)CC2)cn1 ZINC000111212244 543385445 /nfs/dbraw/zinc/38/54/45/543385445.db2.gz XMOOPBJQFABDAX-UHFFFAOYSA-N 1 2 361.446 2.161 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(Cl)nc1)C2 ZINC000113299400 543483010 /nfs/dbraw/zinc/48/30/10/543483010.db2.gz AKRPJFQAXXPQOM-UHFFFAOYSA-N 1 2 354.863 2.339 10 0 FEAELO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cs1)C1CC1 ZINC000114720307 543531982 /nfs/dbraw/zinc/53/19/82/543531982.db2.gz QMQJYPCQMGHTST-AWEZNQCLSA-N 1 2 360.487 2.162 10 0 FEAELO CC(=O)N(c1nc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cs1)C1CC1 ZINC000114720307 543531983 /nfs/dbraw/zinc/53/19/83/543531983.db2.gz QMQJYPCQMGHTST-AWEZNQCLSA-N 1 2 360.487 2.162 10 0 FEAELO Cc1cccc([C@@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)c2ccccn2)c1 ZINC000125114578 543861247 /nfs/dbraw/zinc/86/12/47/543861247.db2.gz NHGJVIFSCYSQSC-FXAWDEMLSA-N 1 2 368.481 2.499 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2ccc(O)cc2)nc[nH+]1 ZINC000125898690 543907573 /nfs/dbraw/zinc/90/75/73/543907573.db2.gz XDQKWWKSSOZZTD-PPYMECGQSA-N 1 2 353.426 2.022 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2ccc(O)cc2)[nH+]cn1 ZINC000125898690 543907575 /nfs/dbraw/zinc/90/75/75/543907575.db2.gz XDQKWWKSSOZZTD-PPYMECGQSA-N 1 2 353.426 2.022 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cnn3c2CCCC3)c2cccs2)CCO1 ZINC000127633010 544005241 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FEAELO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)nc2c1 ZINC000132063078 544217446 /nfs/dbraw/zinc/21/74/46/544217446.db2.gz JYLFOGJLKOQZCX-CYBMUJFWSA-N 1 2 374.466 2.344 10 0 FEAELO COCCC(=O)N1CCC(Nc2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000133413047 544268692 /nfs/dbraw/zinc/26/86/92/544268692.db2.gz CIUSWXUXUWITER-HNNXBMFYSA-N 1 2 361.490 2.152 10 0 FEAELO COCCC(=O)N1CCC(Nc2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000133413047 544268694 /nfs/dbraw/zinc/26/86/94/544268694.db2.gz CIUSWXUXUWITER-HNNXBMFYSA-N 1 2 361.490 2.152 10 0 FEAELO CN1C(=O)C[C@@H](C(=O)NCCCNc2cccc[nH+]2)[C@H]1c1ccc(F)cc1 ZINC000135185414 544337486 /nfs/dbraw/zinc/33/74/86/544337486.db2.gz JROROYPLPOBGOW-VQIMIIECSA-N 1 2 370.428 2.359 10 0 FEAELO CC(C)c1nnc(NC(=O)CN2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000136956703 544381965 /nfs/dbraw/zinc/38/19/65/544381965.db2.gz SDMMUDBWIWSHOR-ZDUSSCGKSA-N 1 2 360.487 2.429 10 0 FEAELO COc1cccc(OCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000150862358 544480032 /nfs/dbraw/zinc/48/00/32/544480032.db2.gz NDIGJVLWLQXRCD-OAHLLOKOSA-N 1 2 358.442 2.327 10 0 FEAELO COc1cccc(OCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000150862358 544480036 /nfs/dbraw/zinc/48/00/36/544480036.db2.gz NDIGJVLWLQXRCD-OAHLLOKOSA-N 1 2 358.442 2.327 10 0 FEAELO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000151258356 544521920 /nfs/dbraw/zinc/52/19/20/544521920.db2.gz UQHUQUZIYADGBQ-LLVKDONJSA-N 1 2 366.487 2.327 10 0 FEAELO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000151258356 544521926 /nfs/dbraw/zinc/52/19/26/544521926.db2.gz UQHUQUZIYADGBQ-LLVKDONJSA-N 1 2 366.487 2.327 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CC2)cn1 ZINC000151700638 544571395 /nfs/dbraw/zinc/57/13/95/544571395.db2.gz AZCRBAKLIFEAOI-IBGZPJMESA-N 1 2 372.444 2.080 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CC2)cn1 ZINC000151700638 544571397 /nfs/dbraw/zinc/57/13/97/544571397.db2.gz AZCRBAKLIFEAOI-IBGZPJMESA-N 1 2 372.444 2.080 10 0 FEAELO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152304298 544636575 /nfs/dbraw/zinc/63/65/75/544636575.db2.gz QOPDUKMSPUHIOF-SFHVURJKSA-N 1 2 354.410 2.132 10 0 FEAELO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152304298 544636578 /nfs/dbraw/zinc/63/65/78/544636578.db2.gz QOPDUKMSPUHIOF-SFHVURJKSA-N 1 2 354.410 2.132 10 0 FEAELO C[C@@H](Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000153341518 544763708 /nfs/dbraw/zinc/76/37/08/544763708.db2.gz IUBOKJCSGVMEJJ-GDBMZVCRSA-N 1 2 365.441 2.192 10 0 FEAELO C[C@@H](Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1cn(-c2ccccc2)nn1 ZINC000153341518 544763710 /nfs/dbraw/zinc/76/37/10/544763710.db2.gz IUBOKJCSGVMEJJ-GDBMZVCRSA-N 1 2 365.441 2.192 10 0 FEAELO C[C@@H](CNC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)[NH+]1CCOCC1 ZINC000153623448 544799778 /nfs/dbraw/zinc/79/97/78/544799778.db2.gz IXUNHJJFIXVFDX-GJZGRUSLSA-N 1 2 358.442 2.423 10 0 FEAELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000155157004 544996162 /nfs/dbraw/zinc/99/61/62/544996162.db2.gz IABMAWGYCBNRRO-FGTMMUONSA-N 1 2 361.534 2.106 10 0 FEAELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000155157004 544996163 /nfs/dbraw/zinc/99/61/63/544996163.db2.gz IABMAWGYCBNRRO-FGTMMUONSA-N 1 2 361.534 2.106 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2OC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000180275179 327679070 /nfs/dbraw/zinc/67/90/70/327679070.db2.gz YKUSAPQBDBSIGS-OCCSQVGLSA-N 1 2 358.360 2.378 10 0 FEAELO C[C@H](CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)[NH+]1CCOCC1 ZINC000184385516 327865104 /nfs/dbraw/zinc/86/51/04/327865104.db2.gz XTJAQSLOKRHRGC-PBHICJAKSA-N 1 2 367.877 2.144 10 0 FEAELO C[C@@H](NC(=O)[C@H]1COCCN1CC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000187368104 328020338 /nfs/dbraw/zinc/02/03/38/328020338.db2.gz SIMJHPWPUSUTFL-CZUORRHYSA-N 1 2 364.396 2.015 10 0 FEAELO COC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000187588698 328034832 /nfs/dbraw/zinc/03/48/32/328034832.db2.gz CKZFXDZUPBMACS-MPGHIAIKSA-N 1 2 358.442 2.379 10 0 FEAELO O=C(c1ccnc2ccncc21)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000188428734 328086564 /nfs/dbraw/zinc/08/65/64/328086564.db2.gz IZYXKFNDYGFHHF-FQEVSTJZSA-N 1 2 362.433 2.121 10 0 FEAELO CCc1ccccc1CC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000188412658 328085352 /nfs/dbraw/zinc/08/53/52/328085352.db2.gz VZYSUHLUWCDUTO-UHFFFAOYSA-N 1 2 354.498 2.486 10 0 FEAELO CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc(OC)cc3)CCO2)cn1 ZINC000190740908 328229285 /nfs/dbraw/zinc/22/92/85/328229285.db2.gz NTTKJSRLIBZCEP-GOSISDBHSA-N 1 2 358.442 2.314 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(OC)cc3)CCO2)cn1 ZINC000190740908 328229286 /nfs/dbraw/zinc/22/92/86/328229286.db2.gz NTTKJSRLIBZCEP-GOSISDBHSA-N 1 2 358.442 2.314 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3Cl)CCO2)cn1 ZINC000190787893 328232633 /nfs/dbraw/zinc/23/26/33/328232633.db2.gz AWYFJGQIJXYEAL-YJBOKZPZSA-N 1 2 365.861 2.370 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3Cl)CCO2)cn1 ZINC000190787893 328232635 /nfs/dbraw/zinc/23/26/35/328232635.db2.gz AWYFJGQIJXYEAL-YJBOKZPZSA-N 1 2 365.861 2.370 10 0 FEAELO CCOC(=O)c1csc(C2CC[NH+](Cc3nnnn3C(C)C)CC2)n1 ZINC000191568877 328271757 /nfs/dbraw/zinc/27/17/57/328271757.db2.gz IQUANAFHXVLUJM-UHFFFAOYSA-N 1 2 364.475 2.267 10 0 FEAELO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000191589135 328273104 /nfs/dbraw/zinc/27/31/04/328273104.db2.gz TWGARYXELKENHW-HNNXBMFYSA-N 1 2 363.458 2.095 10 0 FEAELO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C=O)[nH]2)CC1 ZINC000191589135 328273106 /nfs/dbraw/zinc/27/31/06/328273106.db2.gz TWGARYXELKENHW-HNNXBMFYSA-N 1 2 363.458 2.095 10 0 FEAELO CCc1noc([C@@H](C)[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191979375 328291504 /nfs/dbraw/zinc/29/15/04/328291504.db2.gz IRHWEAYBNBXVEM-CYBMUJFWSA-N 1 2 352.479 2.431 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000192287274 328311199 /nfs/dbraw/zinc/31/11/99/328311199.db2.gz GCXQKZYXZZDAPZ-SECBINFHSA-N 1 2 364.190 2.179 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000192287274 328311200 /nfs/dbraw/zinc/31/12/00/328311200.db2.gz GCXQKZYXZZDAPZ-SECBINFHSA-N 1 2 364.190 2.179 10 0 FEAELO COc1ccncc1NC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000076661746 324958828 /nfs/dbraw/zinc/95/88/28/324958828.db2.gz NUJLQHLMJBBOCH-CYBMUJFWSA-N 1 2 365.393 2.092 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000079976664 325112059 /nfs/dbraw/zinc/11/20/59/325112059.db2.gz GNXVYTNMDCFOGP-JQFCIGGWSA-N 1 2 366.408 2.387 10 0 FEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCc1cc(F)cc(F)c1 ZINC000079976664 325112062 /nfs/dbraw/zinc/11/20/62/325112062.db2.gz GNXVYTNMDCFOGP-JQFCIGGWSA-N 1 2 366.408 2.387 10 0 FEAELO Cc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)c(OCC2CC2)c1 ZINC000087035883 325271523 /nfs/dbraw/zinc/27/15/23/325271523.db2.gz OAMGYLLRIDUDJX-INIZCTEOSA-N 1 2 361.486 2.304 10 0 FEAELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000087063001 325272691 /nfs/dbraw/zinc/27/26/91/325272691.db2.gz FTQFEXSBZKDMIJ-HNNXBMFYSA-N 1 2 365.441 2.361 10 0 FEAELO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084593 325577982 /nfs/dbraw/zinc/57/79/82/325577982.db2.gz AXRSUIFADRTBGT-CYBMUJFWSA-N 1 2 374.876 2.453 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](Cc3cc(C(=O)OC)c(C)o3)CC2)n1 ZINC000106140408 325585573 /nfs/dbraw/zinc/58/55/73/325585573.db2.gz RMXIEWUXBBOTLE-LBPRGKRZSA-N 1 2 362.430 2.199 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCOCCC(C)C)CC2)s1 ZINC000111843797 325739461 /nfs/dbraw/zinc/73/94/61/325739461.db2.gz ZIEOFKZDQCPDCY-UHFFFAOYSA-N 1 2 354.520 2.341 10 0 FEAELO Cn1cc([C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)cn1 ZINC000116417018 326012545 /nfs/dbraw/zinc/01/25/45/326012545.db2.gz CINBEMSRLYLWGS-MRXNPFEDSA-N 1 2 354.458 2.114 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCCc3cccnc3)CC2)cs1 ZINC000116417194 326012923 /nfs/dbraw/zinc/01/29/23/326012923.db2.gz GBPDREIIOWTGSB-UHFFFAOYSA-N 1 2 359.499 2.307 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCCc3cccnc3)CC2)cs1 ZINC000116417194 326012924 /nfs/dbraw/zinc/01/29/24/326012924.db2.gz GBPDREIIOWTGSB-UHFFFAOYSA-N 1 2 359.499 2.307 10 0 FEAELO CC(C)Oc1cccc([C@@H](O)CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000116873379 326039360 /nfs/dbraw/zinc/03/93/60/326039360.db2.gz JLXDDJRAIFMITE-AEFFLSMTSA-N 1 2 372.469 2.370 10 0 FEAELO CC(C)Oc1cccc([C@@H](O)CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000116873379 326039362 /nfs/dbraw/zinc/03/93/62/326039362.db2.gz JLXDDJRAIFMITE-AEFFLSMTSA-N 1 2 372.469 2.370 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000118948636 326112241 /nfs/dbraw/zinc/11/22/41/326112241.db2.gz HTPACCPTOCHHBY-QGZVFWFLSA-N 1 2 370.457 2.329 10 0 FEAELO CCCC(O)(CCC)CC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000119072410 326124301 /nfs/dbraw/zinc/12/43/01/326124301.db2.gz ISHPCGRSKBSCRU-OAHLLOKOSA-N 1 2 363.506 2.325 10 0 FEAELO CCCC(O)(CCC)CC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000119072410 326124302 /nfs/dbraw/zinc/12/43/02/326124302.db2.gz ISHPCGRSKBSCRU-OAHLLOKOSA-N 1 2 363.506 2.325 10 0 FEAELO Cn1cc(C[N@@H+]2CCCN(C(=O)c3c(F)cc(F)cc3F)CC2)cn1 ZINC000119213522 326138481 /nfs/dbraw/zinc/13/84/81/326138481.db2.gz YHJOSJIEQCZRFB-UHFFFAOYSA-N 1 2 352.360 2.186 10 0 FEAELO Cn1cc(C[N@H+]2CCCN(C(=O)c3c(F)cc(F)cc3F)CC2)cn1 ZINC000119213522 326138485 /nfs/dbraw/zinc/13/84/85/326138485.db2.gz YHJOSJIEQCZRFB-UHFFFAOYSA-N 1 2 352.360 2.186 10 0 FEAELO C[C@H](NC[C@H]1C[N@H+](C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322587 326149460 /nfs/dbraw/zinc/14/94/60/326149460.db2.gz IPSLUOISUROMOH-WFASDCNBSA-N 1 2 350.850 2.295 10 0 FEAELO C[C@H](NC[C@H]1C[N@@H+](C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322587 326149464 /nfs/dbraw/zinc/14/94/64/326149464.db2.gz IPSLUOISUROMOH-WFASDCNBSA-N 1 2 350.850 2.295 10 0 FEAELO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000119322587 326149468 /nfs/dbraw/zinc/14/94/68/326149468.db2.gz IPSLUOISUROMOH-WFASDCNBSA-N 1 2 350.850 2.295 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)s1 ZINC000120719378 326282013 /nfs/dbraw/zinc/28/20/13/326282013.db2.gz VURZJKSOMPPSIQ-XHSDSOJGSA-N 1 2 364.515 2.092 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)n1 ZINC000121324492 326329821 /nfs/dbraw/zinc/32/98/21/326329821.db2.gz GFFQOSPQZAXTSN-ZDUSSCGKSA-N 1 2 353.430 2.042 10 0 FEAELO CCOc1cc(C)nc(N2CC[NH+](Cc3ccccc3NC(C)=O)CC2)n1 ZINC000121534574 326346036 /nfs/dbraw/zinc/34/60/36/326346036.db2.gz QVDKEAGMLMDHLO-UHFFFAOYSA-N 1 2 369.469 2.464 10 0 FEAELO COc1cc(OC)c(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c(OC)c1 ZINC000121583995 326349609 /nfs/dbraw/zinc/34/96/09/326349609.db2.gz CQZYCOHDTTVIBN-UHFFFAOYSA-N 1 2 374.485 2.154 10 0 FEAELO COc1cc(OC)c(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c(OC)c1 ZINC000121583995 326349612 /nfs/dbraw/zinc/34/96/12/326349612.db2.gz CQZYCOHDTTVIBN-UHFFFAOYSA-N 1 2 374.485 2.154 10 0 FEAELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121657499 326355321 /nfs/dbraw/zinc/35/53/21/326355321.db2.gz MOYMOGDHAOZREO-QHCPKHFHSA-N 1 2 369.512 2.163 10 0 FEAELO CCN(CCS(C)(=O)=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000121731199 326362105 /nfs/dbraw/zinc/36/21/05/326362105.db2.gz AJUHIVXREAIZRH-AWEZNQCLSA-N 1 2 364.471 2.009 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)ccc1OC(=O)C1CC1 ZINC000122221689 326388559 /nfs/dbraw/zinc/38/85/59/326388559.db2.gz KIZSBEFXYTZJNL-KRWDZBQOSA-N 1 2 371.437 2.108 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)ccc1OC(=O)C1CC1 ZINC000122221689 326388562 /nfs/dbraw/zinc/38/85/62/326388562.db2.gz KIZSBEFXYTZJNL-KRWDZBQOSA-N 1 2 371.437 2.108 10 0 FEAELO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000122323272 326392532 /nfs/dbraw/zinc/39/25/32/326392532.db2.gz KZGSTQUWASYHOP-GOSISDBHSA-N 1 2 353.426 2.183 10 0 FEAELO COc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000122323272 326392534 /nfs/dbraw/zinc/39/25/34/326392534.db2.gz KZGSTQUWASYHOP-GOSISDBHSA-N 1 2 353.426 2.183 10 0 FEAELO COCOc1ccc(OC)cc1C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000122474291 326398323 /nfs/dbraw/zinc/39/83/23/326398323.db2.gz SHMOXSDYSRVTDR-GOSISDBHSA-N 1 2 361.442 2.084 10 0 FEAELO COCOc1ccc(OC)cc1C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000122474291 326398324 /nfs/dbraw/zinc/39/83/24/326398324.db2.gz SHMOXSDYSRVTDR-GOSISDBHSA-N 1 2 361.442 2.084 10 0 FEAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cnn2c1CCCC2 ZINC000127632106 326509900 /nfs/dbraw/zinc/50/99/00/326509900.db2.gz MJXYFWAUYUYEHK-KRWDZBQOSA-N 1 2 374.510 2.426 10 0 FEAELO Cc1ccc([C@@H](CNC(=O)c2cnn3c2CCCC3)[NH+]2CCOCC2)s1 ZINC000127632555 326510015 /nfs/dbraw/zinc/51/00/15/326510015.db2.gz ALZGTSGRZOHCKP-QGZVFWFLSA-N 1 2 374.510 2.393 10 0 FEAELO CC(C)(C)Oc1cccc(CCC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000150939667 326671536 /nfs/dbraw/zinc/67/15/36/326671536.db2.gz GDKRTRKBNODIRH-QGZVFWFLSA-N 1 2 361.486 2.125 10 0 FEAELO C[C@@H](Sc1ccccn1)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000152299705 326703732 /nfs/dbraw/zinc/70/37/32/326703732.db2.gz YRNGTDKGVSEFEX-SJLPKXTDSA-N 1 2 371.506 2.440 10 0 FEAELO C[C@H](CNC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1)[NH+]1CCOCC1 ZINC000153623709 326738071 /nfs/dbraw/zinc/73/80/71/326738071.db2.gz IXUNHJJFIXVFDX-HUUCEWRRSA-N 1 2 358.442 2.423 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)NCCCC1CCCCC1 ZINC000156258678 326823928 /nfs/dbraw/zinc/82/39/28/326823928.db2.gz ZMMSWFAYZUDNNE-UHFFFAOYSA-N 1 2 355.504 2.295 10 0 FEAELO CC(C)Cn1ncc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1C1CC1 ZINC000157993054 326881552 /nfs/dbraw/zinc/88/15/52/326881552.db2.gz MYYURNJQKUSCCT-QAPCUYQASA-N 1 2 360.502 2.209 10 0 FEAELO O=C(NCc1ccc(O)c(F)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000163765858 327058470 /nfs/dbraw/zinc/05/84/70/327058470.db2.gz CHNUDWTYSSXGQK-IBGZPJMESA-N 1 2 373.428 2.092 10 0 FEAELO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000163783330 327058862 /nfs/dbraw/zinc/05/88/62/327058862.db2.gz CETFEUHPMFTEKK-CZUORRHYSA-N 1 2 367.287 2.486 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2cc(C)ccc2F)nc[nH+]1 ZINC000164438873 327070368 /nfs/dbraw/zinc/07/03/68/327070368.db2.gz ZLHIZKTUDJBVDQ-AWEZNQCLSA-N 1 2 373.432 2.130 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2cc(C)ccc2F)[nH+]cn1 ZINC000164438873 327070370 /nfs/dbraw/zinc/07/03/70/327070370.db2.gz ZLHIZKTUDJBVDQ-AWEZNQCLSA-N 1 2 373.432 2.130 10 0 FEAELO C[C@H](CNC(=O)N[C@H](c1ccccc1)c1cccnc1)[NH+]1CCOCC1 ZINC000170892053 327105642 /nfs/dbraw/zinc/10/56/42/327105642.db2.gz CFYKXXYRTDMCCP-VQIMIIECSA-N 1 2 354.454 2.191 10 0 FEAELO Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000171288285 327129770 /nfs/dbraw/zinc/12/97/70/327129770.db2.gz CPDQGDSCCNBZBD-MRXNPFEDSA-N 1 2 374.510 2.028 10 0 FEAELO Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000171288285 327129772 /nfs/dbraw/zinc/12/97/72/327129772.db2.gz CPDQGDSCCNBZBD-MRXNPFEDSA-N 1 2 374.510 2.028 10 0 FEAELO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171511840 327143325 /nfs/dbraw/zinc/14/33/25/327143325.db2.gz BBOUVAFLRHBFBH-QUCCMNQESA-N 1 2 370.497 2.410 10 0 FEAELO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000171511840 327143326 /nfs/dbraw/zinc/14/33/26/327143326.db2.gz BBOUVAFLRHBFBH-QUCCMNQESA-N 1 2 370.497 2.410 10 0 FEAELO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702100 327156044 /nfs/dbraw/zinc/15/60/44/327156044.db2.gz ZOKQLUHUBCGURH-HIFRSBDPSA-N 1 2 365.445 2.187 10 0 FEAELO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702100 327156046 /nfs/dbraw/zinc/15/60/46/327156046.db2.gz ZOKQLUHUBCGURH-HIFRSBDPSA-N 1 2 365.445 2.187 10 0 FEAELO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172110098 327181198 /nfs/dbraw/zinc/18/11/98/327181198.db2.gz MWQQCBIKGBATNP-OAHLLOKOSA-N 1 2 352.442 2.277 10 0 FEAELO CCc1nnc(C[N@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)n1C ZINC000172250964 327190259 /nfs/dbraw/zinc/19/02/59/327190259.db2.gz PEWLGKDIQGOYNT-CYBMUJFWSA-N 1 2 372.391 2.268 10 0 FEAELO CCc1nnc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)n1C ZINC000172250964 327190261 /nfs/dbraw/zinc/19/02/61/327190261.db2.gz PEWLGKDIQGOYNT-CYBMUJFWSA-N 1 2 372.391 2.268 10 0 FEAELO O=C(CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000172742617 327216390 /nfs/dbraw/zinc/21/63/90/327216390.db2.gz BKJATWFKOLJREI-INIZCTEOSA-N 1 2 350.846 2.236 10 0 FEAELO CCc1c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cnn1-c1ccc(F)cc1 ZINC000172743972 327216484 /nfs/dbraw/zinc/21/64/84/327216484.db2.gz SSIZPQQUKPOULW-KRWDZBQOSA-N 1 2 372.444 2.121 10 0 FEAELO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172764882 327217704 /nfs/dbraw/zinc/21/77/04/327217704.db2.gz NTGSLDCIBQOYDT-OAHLLOKOSA-N 1 2 352.862 2.431 10 0 FEAELO COc1cccc(O[C@@H](C)CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c1 ZINC000172776563 327218426 /nfs/dbraw/zinc/21/84/26/327218426.db2.gz MBCQQSUWYABIGB-LSDHHAIUSA-N 1 2 358.442 2.326 10 0 FEAELO COc1cccc(O[C@@H](C)CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c1 ZINC000172776563 327218428 /nfs/dbraw/zinc/21/84/28/327218428.db2.gz MBCQQSUWYABIGB-LSDHHAIUSA-N 1 2 358.442 2.326 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2sc(C)cc2OC)nc[nH+]1 ZINC000173418094 327254816 /nfs/dbraw/zinc/25/48/16/327254816.db2.gz DJJPEOKRSRBAOE-GFCCVEGCSA-N 1 2 361.471 2.296 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2sc(C)cc2OC)[nH+]cn1 ZINC000173418094 327254817 /nfs/dbraw/zinc/25/48/17/327254817.db2.gz DJJPEOKRSRBAOE-GFCCVEGCSA-N 1 2 361.471 2.296 10 0 FEAELO CCSCC[C@H](C)NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173428384 327256338 /nfs/dbraw/zinc/25/63/38/327256338.db2.gz JXMHAXSVTYEMDT-UONOGXRCSA-N 1 2 366.535 2.318 10 0 FEAELO CCSCC[C@H](C)NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173428384 327256340 /nfs/dbraw/zinc/25/63/40/327256340.db2.gz JXMHAXSVTYEMDT-UONOGXRCSA-N 1 2 366.535 2.318 10 0 FEAELO CCOc1ccccc1C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173435479 327256499 /nfs/dbraw/zinc/25/64/99/327256499.db2.gz PORPYHOIUYRTCK-CQSZACIVSA-N 1 2 355.442 2.316 10 0 FEAELO CCOc1ccccc1C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173435479 327256501 /nfs/dbraw/zinc/25/65/01/327256501.db2.gz PORPYHOIUYRTCK-CQSZACIVSA-N 1 2 355.442 2.316 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2cc(C)ccc2C)nc[nH+]1 ZINC000173443678 327257605 /nfs/dbraw/zinc/25/76/05/327257605.db2.gz ZJUIAQQNFAZVBB-INIZCTEOSA-N 1 2 369.469 2.299 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)COc2cc(C)ccc2C)[nH+]cn1 ZINC000173443678 327257606 /nfs/dbraw/zinc/25/76/06/327257606.db2.gz ZJUIAQQNFAZVBB-INIZCTEOSA-N 1 2 369.469 2.299 10 0 FEAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2)c1nnc2n1CCCC2 ZINC000173624103 327271678 /nfs/dbraw/zinc/27/16/78/327271678.db2.gz WFFTYHGHHSYXAA-OLZOCXBDSA-N 1 2 371.441 2.063 10 0 FEAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)NC(=O)Nc1ccccc1F ZINC000173630412 327272253 /nfs/dbraw/zinc/27/22/53/327272253.db2.gz MCFNHDQPKSERBO-VXGBXAGGSA-N 1 2 374.420 2.141 10 0 FEAELO C[C@@H](OCCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173769408 327283003 /nfs/dbraw/zinc/28/30/03/327283003.db2.gz UVHUGSIROLEERO-IEBWSBKVSA-N 1 2 361.486 2.270 10 0 FEAELO CS(=O)(=O)Cc1nc(CN2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000173778857 327283402 /nfs/dbraw/zinc/28/34/02/327283402.db2.gz RNSQEZIZBAGYHU-ZDUSSCGKSA-N 1 2 366.512 2.017 10 0 FEAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(OC(F)F)c1 ZINC000173777444 327283510 /nfs/dbraw/zinc/28/35/10/327283510.db2.gz OVWHLZDCGNEQIO-HIFRSBDPSA-N 1 2 369.412 2.465 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)[nH]n2)cc1 ZINC000173805392 327285524 /nfs/dbraw/zinc/28/55/24/327285524.db2.gz XCEUIIYQNKDUAD-DNVCBOLYSA-N 1 2 354.454 2.178 10 0 FEAELO C[C@H]1CN(C(=O)c2cc(Br)ccc2F)C[C@H]1[NH+]1CCOCC1 ZINC000173825594 327286790 /nfs/dbraw/zinc/28/67/90/327286790.db2.gz OSUVKKOYTJLVDF-XHDPSFHLSA-N 1 2 371.250 2.381 10 0 FEAELO C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173842157 327288244 /nfs/dbraw/zinc/28/82/44/327288244.db2.gz OHFHDSZNVBWCMY-RHSMWYFYSA-N 1 2 350.434 2.162 10 0 FEAELO CC(C)c1ccccc1OCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173864396 327289467 /nfs/dbraw/zinc/28/94/67/327289467.db2.gz RMDOTAMPTWRGCD-QGZVFWFLSA-N 1 2 361.486 2.305 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccc(Br)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173870218 327290100 /nfs/dbraw/zinc/29/01/00/327290100.db2.gz GHYFCWHYNIDZST-IUODEOHRSA-N 1 2 353.260 2.242 10 0 FEAELO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1=O ZINC000173882272 327291219 /nfs/dbraw/zinc/29/12/19/327291219.db2.gz ZAYHACALGIWUPA-HUUCEWRRSA-N 1 2 374.466 2.211 10 0 FEAELO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H]2c2cnn(C)c2)C1=O ZINC000173882272 327291220 /nfs/dbraw/zinc/29/12/20/327291220.db2.gz ZAYHACALGIWUPA-HUUCEWRRSA-N 1 2 374.466 2.211 10 0 FEAELO O=C(Nc1ccc(OC2CCCC2)nc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173900234 327292728 /nfs/dbraw/zinc/29/27/28/327292728.db2.gz UVVZLXXJSBCKDD-MRXNPFEDSA-N 1 2 360.458 2.341 10 0 FEAELO Cc1ccnc(-c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2)n1 ZINC000173903336 327292938 /nfs/dbraw/zinc/29/29/38/327292938.db2.gz UXTNPSFRYJZWGH-GOSISDBHSA-N 1 2 367.453 2.390 10 0 FEAELO O=C(NCCCc1c[nH]c2ccccc12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173908886 327293705 /nfs/dbraw/zinc/29/37/05/327293705.db2.gz IDABZAGHIGLXPX-QGZVFWFLSA-N 1 2 356.470 2.217 10 0 FEAELO O=C(N[C@@H](c1nccs1)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173908488 327293753 /nfs/dbraw/zinc/29/37/53/327293753.db2.gz QYIQOJNQCMBTBP-DLBZAZTESA-N 1 2 372.494 2.349 10 0 FEAELO C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938900 327296211 /nfs/dbraw/zinc/29/62/11/327296211.db2.gz NYOHRGLZTQMPJX-INIZCTEOSA-N 1 2 362.433 2.408 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2cccs2)nc[nH+]1 ZINC000174000102 327300580 /nfs/dbraw/zinc/30/05/80/327300580.db2.gz BFWVHJNTXYLPBE-CYBMUJFWSA-N 1 2 360.487 2.091 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2cccs2)[nH+]cn1 ZINC000174000102 327300582 /nfs/dbraw/zinc/30/05/82/327300582.db2.gz BFWVHJNTXYLPBE-CYBMUJFWSA-N 1 2 360.487 2.091 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(COC)c2)nc[nH+]1 ZINC000174866363 327356293 /nfs/dbraw/zinc/35/62/93/327356293.db2.gz RLFYDYNCYYKCSI-MRXNPFEDSA-N 1 2 370.457 2.455 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(COC)c2)[nH+]cn1 ZINC000174866363 327356294 /nfs/dbraw/zinc/35/62/94/327356294.db2.gz RLFYDYNCYYKCSI-MRXNPFEDSA-N 1 2 370.457 2.455 10 0 FEAELO CCO[C@@H](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCCC1 ZINC000174905355 327360019 /nfs/dbraw/zinc/36/00/19/327360019.db2.gz GIBXYQPQYSCDDJ-ROUUACIJSA-N 1 2 353.507 2.088 10 0 FEAELO CCCCN(CCO)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174983734 327365357 /nfs/dbraw/zinc/36/53/57/327365357.db2.gz FZQAQBGVUDTYLF-MRXNPFEDSA-N 1 2 369.531 2.234 10 0 FEAELO C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)Oc1ccccc1Cl ZINC000175003468 327367132 /nfs/dbraw/zinc/36/71/32/327367132.db2.gz IFKPKDAXOKEKBU-KBPBESRZSA-N 1 2 355.866 2.127 10 0 FEAELO C[C@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)[NH+]1CCOCC1 ZINC000175371971 327389522 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CCn1cc([C@H]2C[N@H+](C[C@H](O)COc3c(C)cccc3C)CCO2)cn1 ZINC000190728028 328228299 /nfs/dbraw/zinc/22/82/99/328228299.db2.gz IWDOBYNIHYTYNG-RBUKOAKNSA-N 1 2 359.470 2.333 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](C[C@H](O)COc3c(C)cccc3C)CCO2)cn1 ZINC000190728028 328228300 /nfs/dbraw/zinc/22/83/00/328228300.db2.gz IWDOBYNIHYTYNG-RBUKOAKNSA-N 1 2 359.470 2.333 10 0 FEAELO CCn1cc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C)cc3C)CCO2)cn1 ZINC000190810114 328233825 /nfs/dbraw/zinc/23/38/25/328233825.db2.gz DIEZNPFNKUTEFJ-AZUAARDMSA-N 1 2 359.470 2.333 10 0 FEAELO CCn1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C)cc3C)CCO2)cn1 ZINC000190810114 328233827 /nfs/dbraw/zinc/23/38/27/328233827.db2.gz DIEZNPFNKUTEFJ-AZUAARDMSA-N 1 2 359.470 2.333 10 0 FEAELO CCC(C)(C)NC(=O)CN1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191985155 328291878 /nfs/dbraw/zinc/29/18/78/328291878.db2.gz YDRPOSDBLRGDNH-UHFFFAOYSA-N 1 2 355.523 2.029 10 0 FEAELO CCC(C)(C)NC(=O)CN1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191985155 328291880 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CCOC(=O)C[N@@H+](C[C@H](O)COc1cccc(Br)c1)C1CC1 ZINC000193534395 328380522 /nfs/dbraw/zinc/38/05/22/328380522.db2.gz WKXABUZDSWKPAJ-AWEZNQCLSA-N 1 2 372.259 2.216 10 0 FEAELO CCOC(=O)[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000193854057 328399037 /nfs/dbraw/zinc/39/90/37/328399037.db2.gz DIYKCJBPBLUEJO-IUODEOHRSA-N 1 2 370.902 2.498 10 0 FEAELO Cc1csc([C@@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CCO2)n1 ZINC000194021480 328407486 /nfs/dbraw/zinc/40/74/86/328407486.db2.gz ICPHDFSNPPPLSG-HNNXBMFYSA-N 1 2 371.466 2.425 10 0 FEAELO Cc1[nH+]c2ccccc2n1CC(=O)N(C)C[C@@H](O)COCc1ccccc1 ZINC000081966936 325205151 /nfs/dbraw/zinc/20/51/51/325205151.db2.gz NTIUJUJUDMCJLQ-GOSISDBHSA-N 1 2 367.449 2.381 10 0 FEAELO C[C@@H](CNC(=O)Nc1ccc(F)cc1OCC(F)F)[NH+]1CCOCC1 ZINC000091191857 325378305 /nfs/dbraw/zinc/37/83/05/325378305.db2.gz IUQMBXOOFIBYDX-NSHDSACASA-N 1 2 361.364 2.312 10 0 FEAELO CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC([C@H](C)O)CC2)n1 ZINC000111285629 325712421 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COc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1Cl ZINC000120986226 326304196 /nfs/dbraw/zinc/30/41/96/326304196.db2.gz CQLSOFFQNWECND-UHFFFAOYSA-N 1 2 358.833 2.109 10 0 FEAELO COc1ccc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c(OC)c1 ZINC000121429650 326338289 /nfs/dbraw/zinc/33/82/89/326338289.db2.gz ODSFIRGMNNKJCD-UHFFFAOYSA-N 1 2 358.486 2.372 10 0 FEAELO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000122284526 326391005 /nfs/dbraw/zinc/39/10/05/326391005.db2.gz NHLGRINLXMZUMZ-YOEHRIQHSA-N 1 2 360.433 2.267 10 0 FEAELO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000122284526 326391006 /nfs/dbraw/zinc/39/10/06/326391006.db2.gz NHLGRINLXMZUMZ-YOEHRIQHSA-N 1 2 360.433 2.267 10 0 FEAELO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000122284526 326391008 /nfs/dbraw/zinc/39/10/08/326391008.db2.gz NHLGRINLXMZUMZ-YOEHRIQHSA-N 1 2 360.433 2.267 10 0 FEAELO O=C(C1=COCCC1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000135539351 326643618 /nfs/dbraw/zinc/64/36/18/326643618.db2.gz TZJNKCAUKHTNOT-UHFFFAOYSA-N 1 2 352.438 2.211 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccc(C(=O)OC)c(F)c3)CC2)n1 ZINC000151075714 326674323 /nfs/dbraw/zinc/67/43/23/326674323.db2.gz OGBSWHQNQMPCLQ-UHFFFAOYSA-N 1 2 374.416 2.123 10 0 FEAELO C[C@H](NC(=O)N1CCCC2(C1)OCCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000152355320 326705198 /nfs/dbraw/zinc/70/51/98/326705198.db2.gz QFGQWJGLJMNXMT-HNNXBMFYSA-N 1 2 356.426 2.482 10 0 FEAELO CCN(CC)C(=O)C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152883093 326718650 /nfs/dbraw/zinc/71/86/50/326718650.db2.gz SHBCNPGBWYEUJF-UHFFFAOYSA-N 1 2 356.470 2.328 10 0 FEAELO C[C@H](CNC(=O)NCc1cccc(-c2ccccn2)c1)[NH+]1CCOCC1 ZINC000157560487 326868676 /nfs/dbraw/zinc/86/86/76/326868676.db2.gz RVXIGQYKQUQVCN-MRXNPFEDSA-N 1 2 354.454 2.269 10 0 FEAELO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CC[C@]2(CCOC2)C1 ZINC000157784245 326875070 /nfs/dbraw/zinc/87/50/70/326875070.db2.gz JIXUVGCFRIHEHT-FQEVSTJZSA-N 1 2 354.454 2.296 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000162445243 327025918 /nfs/dbraw/zinc/02/59/18/327025918.db2.gz PGZAODOYOWIPQW-INIZCTEOSA-N 1 2 354.410 2.482 10 0 FEAELO C[C@H](CNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)[NH+]1CCOCC1 ZINC000170684556 327093859 /nfs/dbraw/zinc/09/38/59/327093859.db2.gz MYDLQRXTRRGUOF-CQSZACIVSA-N 1 2 372.469 2.485 10 0 FEAELO O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000170887318 327105357 /nfs/dbraw/zinc/10/53/57/327105357.db2.gz YLIFAXCBUONFRA-INIZCTEOSA-N 1 2 374.466 2.148 10 0 FEAELO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccnc(Cl)c3)CC2)n1 ZINC000171503394 327142726 /nfs/dbraw/zinc/14/27/26/327142726.db2.gz CILBAZULWWYMAN-UHFFFAOYSA-N 1 2 357.849 2.042 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000171662196 327153221 /nfs/dbraw/zinc/15/32/21/327153221.db2.gz DZIJGVMAOMIZOO-INIZCTEOSA-N 1 2 355.442 2.319 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000171662196 327153222 /nfs/dbraw/zinc/15/32/22/327153222.db2.gz DZIJGVMAOMIZOO-INIZCTEOSA-N 1 2 355.442 2.319 10 0 FEAELO CCCCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1OC ZINC000172751783 327217020 /nfs/dbraw/zinc/21/70/20/327217020.db2.gz FGMCAZSJXGNTKD-QGZVFWFLSA-N 1 2 362.470 2.421 10 0 FEAELO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172755972 327217152 /nfs/dbraw/zinc/21/71/52/327217152.db2.gz ZTBGHZCJFJXCES-KBPBESRZSA-N 1 2 372.387 2.406 10 0 FEAELO CCOc1c(Cl)cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1OC ZINC000172762041 327217566 /nfs/dbraw/zinc/21/75/66/327217566.db2.gz AQHHNGOUCLMRGH-CQSZACIVSA-N 1 2 368.861 2.294 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccc(F)cc2)nc[nH+]1 ZINC000173290274 327247439 /nfs/dbraw/zinc/24/74/39/327247439.db2.gz YDPWFQWAIIPLNA-OAHLLOKOSA-N 1 2 358.421 2.126 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCc2ccc(F)cc2)[nH+]cn1 ZINC000173290274 327247441 /nfs/dbraw/zinc/24/74/41/327247441.db2.gz YDPWFQWAIIPLNA-OAHLLOKOSA-N 1 2 358.421 2.126 10 0 FEAELO C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173337191 327250354 /nfs/dbraw/zinc/25/03/54/327250354.db2.gz QIBZVMYYOXAVTR-IEBWSBKVSA-N 1 2 361.486 2.098 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)c2cccnc2)nc[nH+]1 ZINC000173422971 327255549 /nfs/dbraw/zinc/25/55/49/327255549.db2.gz SKZJKWLRIYWTFN-ZBFHGGJFSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@H](C)c2cccnc2)[nH+]cn1 ZINC000173422971 327255550 /nfs/dbraw/zinc/25/55/50/327255550.db2.gz SKZJKWLRIYWTFN-ZBFHGGJFSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2OC)nc[nH+]1 ZINC000173430965 327256201 /nfs/dbraw/zinc/25/62/01/327256201.db2.gz PSMFKQGJZYAZCM-ZDUSSCGKSA-N 1 2 359.405 2.065 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(F)ccc2OC)[nH+]cn1 ZINC000173430965 327256203 /nfs/dbraw/zinc/25/62/03/327256203.db2.gz PSMFKQGJZYAZCM-ZDUSSCGKSA-N 1 2 359.405 2.065 10 0 FEAELO Cc1csc([C@@H]2CCCN(C(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)C2)n1 ZINC000173493185 327261263 /nfs/dbraw/zinc/26/12/63/327261263.db2.gz GHKMNPBQLJGTCZ-BZUAXINKSA-N 1 2 366.531 2.450 10 0 FEAELO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1OC ZINC000173629416 327272386 /nfs/dbraw/zinc/27/23/86/327272386.db2.gz LMDWGDATHXONSM-STQMWFEESA-N 1 2 373.457 2.309 10 0 FEAELO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3cccc(Cl)n3)CC2)n1 ZINC000173692564 327277344 /nfs/dbraw/zinc/27/73/44/327277344.db2.gz MTGBPWJGNJSOSH-UHFFFAOYSA-N 1 2 357.849 2.042 10 0 FEAELO O=C(NCCSCc1ccccc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173771292 327283084 /nfs/dbraw/zinc/28/30/84/327283084.db2.gz HTESHBKHDRRYGC-INIZCTEOSA-N 1 2 367.490 2.175 10 0 FEAELO Cc1c(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)oc2ccc(F)cc12 ZINC000173793205 327284463 /nfs/dbraw/zinc/28/44/63/327284463.db2.gz QIBSWMQGPDHAAL-OAHLLOKOSA-N 1 2 361.417 2.496 10 0 FEAELO CC(C)COc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173791936 327284467 /nfs/dbraw/zinc/28/44/67/327284467.db2.gz NLRSHEHVTGEYRE-GOSISDBHSA-N 1 2 361.486 2.338 10 0 FEAELO O=C(NCc1ccccc1Br)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173796714 327284894 /nfs/dbraw/zinc/28/48/94/327284894.db2.gz HGHXBKVXCUFFSZ-CQSZACIVSA-N 1 2 368.275 2.065 10 0 FEAELO Cc1nc2cc(F)cc(C(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2nc1C ZINC000173859365 327289345 /nfs/dbraw/zinc/28/93/45/327289345.db2.gz GFXJECNYWXDBSJ-KZULUSFZSA-N 1 2 372.444 2.178 10 0 FEAELO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c2c(n1)onc2C(C)C ZINC000173877251 327290602 /nfs/dbraw/zinc/29/06/02/327290602.db2.gz ZCAKODAGVGLONX-CJNGLKHVSA-N 1 2 372.469 2.447 10 0 FEAELO C[C@H]1CN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173876770 327290750 /nfs/dbraw/zinc/29/07/50/327290750.db2.gz YTTXDDSCFZVMKQ-KBXCAEBGSA-N 1 2 374.872 2.318 10 0 FEAELO Cc1cc(OCC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000173882808 327291097 /nfs/dbraw/zinc/29/10/97/327291097.db2.gz UCTWPTUKRMWQQS-PBHICJAKSA-N 1 2 352.862 2.206 10 0 FEAELO Cc1ccc(-c2cc(C(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)on2)cc1 ZINC000173887879 327291751 /nfs/dbraw/zinc/29/17/51/327291751.db2.gz MRTLTZZRKKIHPJ-MAUKXSAKSA-N 1 2 355.438 2.443 10 0 FEAELO COc1ccc([C@@H](C)CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173895110 327292102 /nfs/dbraw/zinc/29/21/02/327292102.db2.gz FTVNCZLDOOPYHO-WMZOPIPTSA-N 1 2 361.486 2.305 10 0 FEAELO CCC(CC)c1cc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)on1 ZINC000173895816 327292434 /nfs/dbraw/zinc/29/24/34/327292434.db2.gz HICINWUDISOHTQ-OAHLLOKOSA-N 1 2 350.463 2.194 10 0 FEAELO CN(C)c1ccc(Cl)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173903905 327293355 /nfs/dbraw/zinc/29/33/55/327293355.db2.gz QYSDUCUKIWYERP-CQSZACIVSA-N 1 2 352.866 2.344 10 0 FEAELO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173958801 327297778 /nfs/dbraw/zinc/29/77/78/327297778.db2.gz GSLHKIWGYSZJFH-DYVFJYSZSA-N 1 2 358.417 2.009 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2NC(=O)C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000173961445 327298080 /nfs/dbraw/zinc/29/80/80/327298080.db2.gz WPEDKJHVVQXNHD-CRAIPNDOSA-N 1 2 373.497 2.464 10 0 FEAELO CN(C)C(=O)c1ccc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)nc1 ZINC000174740823 327347356 /nfs/dbraw/zinc/34/73/56/327347356.db2.gz IRGJDQTUQMDJCJ-UHFFFAOYSA-N 1 2 370.501 2.057 10 0 FEAELO COC(C)(C)CNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000174950758 327363193 /nfs/dbraw/zinc/36/31/93/327363193.db2.gz FPBHGHPBZBXWLG-AWEZNQCLSA-N 1 2 355.504 2.188 10 0 FEAELO COCCCN(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175048414 327370548 /nfs/dbraw/zinc/37/05/48/327370548.db2.gz GDUNRGZGDLWZSU-CABCVRRESA-N 1 2 355.504 2.188 10 0 FEAELO COCCCN(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175048414 327370550 /nfs/dbraw/zinc/37/05/50/327370550.db2.gz GDUNRGZGDLWZSU-CABCVRRESA-N 1 2 355.504 2.188 10 0 FEAELO CC(C)c1cccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000176993490 327489196 /nfs/dbraw/zinc/48/91/96/327489196.db2.gz NKGUZBUVQJGZLD-QAPCUYQASA-N 1 2 352.500 2.151 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCCO2)[NH+]2CCOCC2)s1 ZINC000178561616 327592391 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IVFOFDXCNSOABQ-OWCLPIDISA-N 1 2 352.500 2.443 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)CC[C@H]2CCOC2)c2cccs2)CCO1 ZINC000246391094 549122669 /nfs/dbraw/zinc/12/26/69/549122669.db2.gz IVFOFDXCNSOABQ-OWCLPIDISA-N 1 2 352.500 2.443 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000246514359 549151309 /nfs/dbraw/zinc/15/13/09/549151309.db2.gz VAANXWODWVSCNQ-JKSUJKDBSA-N 1 2 351.878 2.387 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000246514359 549151313 /nfs/dbraw/zinc/15/13/13/549151313.db2.gz VAANXWODWVSCNQ-JKSUJKDBSA-N 1 2 351.878 2.387 10 0 FEAELO C[N@@H+]1CCO[C@H](CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246640370 549181688 /nfs/dbraw/zinc/18/16/88/549181688.db2.gz XBRFXESQAYJXOI-RTBURBONSA-N 1 2 357.429 2.426 10 0 FEAELO C[N@H+]1CCO[C@H](CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246640370 549181691 /nfs/dbraw/zinc/18/16/91/549181691.db2.gz XBRFXESQAYJXOI-RTBURBONSA-N 1 2 357.429 2.426 10 0 FEAELO CCOCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246717564 549195415 /nfs/dbraw/zinc/19/54/15/549195415.db2.gz FYSHKMSFXLBGFZ-XHSDSOJGSA-N 1 2 370.515 2.068 10 0 FEAELO CCOCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246717564 549195418 /nfs/dbraw/zinc/19/54/18/549195418.db2.gz FYSHKMSFXLBGFZ-XHSDSOJGSA-N 1 2 370.515 2.068 10 0 FEAELO CCCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000247110038 549284885 /nfs/dbraw/zinc/28/48/85/549284885.db2.gz WSBRSXDGXRGKPA-GVDBMIGSSA-N 1 2 355.523 2.332 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 ZINC000247588833 549363974 /nfs/dbraw/zinc/36/39/74/549363974.db2.gz JJLNNVWMHLYEHD-UYAOXDASSA-N 1 2 370.497 2.248 10 0 FEAELO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)CCO2)n1 ZINC000247588833 549363975 /nfs/dbraw/zinc/36/39/75/549363975.db2.gz JJLNNVWMHLYEHD-UYAOXDASSA-N 1 2 370.497 2.248 10 0 FEAELO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000247777424 549380283 /nfs/dbraw/zinc/38/02/83/549380283.db2.gz QYXZOZUFRSDQHV-SOUVJXGZSA-N 1 2 351.495 2.004 10 0 FEAELO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248343226 549420774 /nfs/dbraw/zinc/42/07/74/549420774.db2.gz KATUEPFNPIYXGN-XLIONFOSSA-N 1 2 374.504 2.033 10 0 FEAELO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248343226 549420779 /nfs/dbraw/zinc/42/07/79/549420779.db2.gz KATUEPFNPIYXGN-XLIONFOSSA-N 1 2 374.504 2.033 10 0 FEAELO C/C=C/C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248558824 549457974 /nfs/dbraw/zinc/45/79/74/549457974.db2.gz DQQYLOFSZQOXFR-XJEJTNKKSA-N 1 2 367.515 2.136 10 0 FEAELO C/C=C/C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248558824 549457976 /nfs/dbraw/zinc/45/79/76/549457976.db2.gz DQQYLOFSZQOXFR-XJEJTNKKSA-N 1 2 367.515 2.136 10 0 FEAELO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249353510 549583350 /nfs/dbraw/zinc/58/33/50/549583350.db2.gz QIGIXGMZYLEQPN-IEBDPFPHSA-N 1 2 366.767 2.113 10 0 FEAELO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249353510 549583354 /nfs/dbraw/zinc/58/33/54/549583354.db2.gz QIGIXGMZYLEQPN-IEBDPFPHSA-N 1 2 366.767 2.113 10 0 FEAELO O=S(=O)(c1ccccc1Br)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249765924 549626722 /nfs/dbraw/zinc/62/67/22/549626722.db2.gz PIMSZRMASINTMT-LBPRGKRZSA-N 1 2 359.289 2.308 10 0 FEAELO O=S(=O)(c1ccccc1Br)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249765924 549626727 /nfs/dbraw/zinc/62/67/27/549626727.db2.gz PIMSZRMASINTMT-LBPRGKRZSA-N 1 2 359.289 2.308 10 0 FEAELO COc1cc2nc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)[nH]c(=O)c2cc1OC ZINC000253553663 549695124 /nfs/dbraw/zinc/69/51/24/549695124.db2.gz BOQIUMALMXTCOC-RBZFPXEDSA-N 1 2 373.453 2.480 10 0 FEAELO COc1cc2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)[nH]c(=O)c2cc1OC ZINC000253553663 549695127 /nfs/dbraw/zinc/69/51/27/549695127.db2.gz BOQIUMALMXTCOC-RBZFPXEDSA-N 1 2 373.453 2.480 10 0 FEAELO Cc1cnn(CC(=O)N2CCC3(CC[C@H](COc4cc[nH+]cc4)O3)CC2)c1 ZINC000257191342 549716080 /nfs/dbraw/zinc/71/60/80/549716080.db2.gz PZQAIMSBGHMZIZ-GOSISDBHSA-N 1 2 370.453 2.206 10 0 FEAELO Cc1cc(-c2noc([C@@H](C)NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)n2)ccc1F ZINC000262977064 549867728 /nfs/dbraw/zinc/86/77/28/549867728.db2.gz MIMJKHDEVNVFEA-SKDRFNHKSA-N 1 2 354.332 2.359 10 0 FEAELO COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263218740 549886395 /nfs/dbraw/zinc/88/63/95/549886395.db2.gz LKNBVPXOHXQQDD-VXGBXAGGSA-N 1 2 359.804 2.041 10 0 FEAELO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301195661 553630045 /nfs/dbraw/zinc/63/00/45/553630045.db2.gz JXEIWIKEZHMKSH-SJORKVTESA-N 1 2 370.501 2.377 10 0 FEAELO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301195661 553630050 /nfs/dbraw/zinc/63/00/50/553630050.db2.gz JXEIWIKEZHMKSH-SJORKVTESA-N 1 2 370.501 2.377 10 0 FEAELO O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328636063 553800364 /nfs/dbraw/zinc/80/03/64/553800364.db2.gz VIMJAJNNVWKBFS-NSHDSACASA-N 1 2 357.838 2.358 10 0 FEAELO CN1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328643272 553801036 /nfs/dbraw/zinc/80/10/36/553801036.db2.gz YRYGBBODINHBRC-CQSZACIVSA-N 1 2 372.853 2.021 10 0 FEAELO Cc1ccccc1OCCN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328642298 553801385 /nfs/dbraw/zinc/80/13/85/553801385.db2.gz YKLANRXJTTYYKR-UHFFFAOYSA-N 1 2 363.483 2.368 10 0 FEAELO O=C(c1ncccc1Oc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000367018532 555999158 /nfs/dbraw/zinc/99/91/58/555999158.db2.gz ZVXDNCSRSSPUSH-INIZCTEOSA-N 1 2 353.422 2.421 10 0 FEAELO C[N@@H+]1CCc2ncnc(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)c2C1 ZINC000372321418 557439208 /nfs/dbraw/zinc/43/92/08/557439208.db2.gz LSADFRNHBUCTGL-LJQANCHMSA-N 1 2 358.873 2.302 10 0 FEAELO C[N@H+]1CCc2ncnc(N3CC[C@@](O)(Cc4cccc(Cl)c4)C3)c2C1 ZINC000372321418 557439211 /nfs/dbraw/zinc/43/92/11/557439211.db2.gz LSADFRNHBUCTGL-LJQANCHMSA-N 1 2 358.873 2.302 10 0 FEAELO COc1ccc(/C=C(\C)C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000377294073 558308140 /nfs/dbraw/zinc/30/81/40/558308140.db2.gz QLGJYAFOXGWLEX-ISBHARSQSA-N 1 2 358.417 2.476 10 0 FEAELO CN(C)c1ccc(N[C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000583624094 570810382 /nfs/dbraw/zinc/81/03/82/570810382.db2.gz TULVQEMYQLCMJQ-RDJZCZTQSA-N 1 2 361.490 2.303 10 0 FEAELO O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177744869 672386026 /nfs/dbraw/zinc/38/60/26/672386026.db2.gz RFILMHZHFPZJQC-CYBMUJFWSA-N 1 2 369.393 2.184 10 0 FEAELO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc2c(c1)OCCO2 ZINC000181728281 672429875 /nfs/dbraw/zinc/42/98/75/672429875.db2.gz MRLBZVOUPNHXEY-NSHDSACASA-N 1 2 368.480 2.310 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2nc(Br)cs2)C[C@H]1C ZINC000188875834 672600875 /nfs/dbraw/zinc/60/08/75/672600875.db2.gz TYDBVKHWOFTWDL-SNVBAGLBSA-N 1 2 362.293 2.088 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2nc(Br)cs2)C[C@H]1C ZINC000188875834 672600880 /nfs/dbraw/zinc/60/08/80/672600880.db2.gz TYDBVKHWOFTWDL-SNVBAGLBSA-N 1 2 362.293 2.088 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2scnc2C)nc[nH+]1 ZINC000188955906 672603382 /nfs/dbraw/zinc/60/33/82/672603382.db2.gz UVWILDXKAPXSKM-GFUIURDCSA-N 1 2 358.471 2.082 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)/C=C/c2scnc2C)[nH+]cn1 ZINC000188955906 672603384 /nfs/dbraw/zinc/60/33/84/672603384.db2.gz UVWILDXKAPXSKM-GFUIURDCSA-N 1 2 358.471 2.082 10 0 FEAELO CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2C)CC1 ZINC000036255893 539987943 /nfs/dbraw/zinc/98/79/43/539987943.db2.gz HQZZUZHFHINGRZ-IBGZPJMESA-N 1 2 357.498 2.448 10 0 FEAELO C[C@@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471083 542282579 /nfs/dbraw/zinc/28/25/79/542282579.db2.gz HXHCRBROQWVAMB-UONOGXRCSA-N 1 2 364.471 2.008 10 0 FEAELO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000077483432 542387296 /nfs/dbraw/zinc/38/72/96/542387296.db2.gz WLFWMGZMVZKQLB-CYBMUJFWSA-N 1 2 372.868 2.413 10 0 FEAELO O=C(c1cccc(I)c1)N1CCn2cc[nH+]c2C1 ZINC000062256230 221139435 /nfs/dbraw/zinc/13/94/35/221139435.db2.gz RLCQBKWBOGOFIC-UHFFFAOYSA-N 1 2 353.163 2.144 10 0 FEAELO CCC1CCC(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000079444701 542519810 /nfs/dbraw/zinc/51/98/10/542519810.db2.gz APAQTKGQOOJGLS-HTWSVDAQSA-N 1 2 355.548 2.462 10 0 FEAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000093159369 542914808 /nfs/dbraw/zinc/91/48/08/542914808.db2.gz PYLPJHVLWSENLO-AAEUAGOBSA-N 1 2 373.526 2.499 10 0 FEAELO CC(=O)N[C@H]1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000093159369 542914811 /nfs/dbraw/zinc/91/48/11/542914811.db2.gz PYLPJHVLWSENLO-AAEUAGOBSA-N 1 2 373.526 2.499 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000098130148 543023000 /nfs/dbraw/zinc/02/30/00/543023000.db2.gz TVOSXYJWNZSGME-GFCCVEGCSA-N 1 2 355.232 2.230 10 0 FEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000098130148 543023003 /nfs/dbraw/zinc/02/30/03/543023003.db2.gz TVOSXYJWNZSGME-GFCCVEGCSA-N 1 2 355.232 2.230 10 0 FEAELO C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000105119966 543159743 /nfs/dbraw/zinc/15/97/43/543159743.db2.gz YOZKEFZZZKIJGS-CYBMUJFWSA-N 1 2 370.291 2.484 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)s1 ZINC000106090862 543194491 /nfs/dbraw/zinc/19/44/91/543194491.db2.gz RGFYAFBRZWPABD-GASCZTMLSA-N 1 2 350.532 2.359 10 0 FEAELO Cc1ncc(CN2CC[NH+](CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)s1 ZINC000106090862 543194493 /nfs/dbraw/zinc/19/44/93/543194493.db2.gz RGFYAFBRZWPABD-GASCZTMLSA-N 1 2 350.532 2.359 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)NCc3ccc(C)cc3)CC2)n1 ZINC000106133882 543206696 /nfs/dbraw/zinc/20/66/96/543206696.db2.gz INAURGRGBYVLQP-HOTGVXAUSA-N 1 2 371.485 2.070 10 0 FEAELO COC(=O)c1cc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)oc1C ZINC000106144070 543207486 /nfs/dbraw/zinc/20/74/86/543207486.db2.gz CWRSJGCRIIIIFD-UHFFFAOYSA-N 1 2 360.458 2.043 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000106141845 543207942 /nfs/dbraw/zinc/20/79/42/543207942.db2.gz SQIDSPYGZPAMAJ-UHFFFAOYSA-N 1 2 373.476 2.322 10 0 FEAELO CCOCC[N@@H+]1CCN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@H]1CC ZINC000106119616 543203710 /nfs/dbraw/zinc/20/37/10/543203710.db2.gz FILYYQUMMJKVEZ-QGZVFWFLSA-N 1 2 363.502 2.450 10 0 FEAELO CCOCC[N@H+]1CCN(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)C[C@H]1CC ZINC000106119616 543203712 /nfs/dbraw/zinc/20/37/12/543203712.db2.gz FILYYQUMMJKVEZ-QGZVFWFLSA-N 1 2 363.502 2.450 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc(C(=O)NCC(C)C)c3)CCO2)c1 ZINC000106194252 543215808 /nfs/dbraw/zinc/21/58/08/543215808.db2.gz AXYJHDLWWLEMCY-FQEVSTJZSA-N 1 2 370.497 2.478 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc(C(=O)NCC(C)C)c3)CCO2)c1 ZINC000106194252 543215810 /nfs/dbraw/zinc/21/58/10/543215810.db2.gz AXYJHDLWWLEMCY-FQEVSTJZSA-N 1 2 370.497 2.478 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](CC(=O)NC3(c4ccccc4)CCC3)CCO2)c1 ZINC000106194973 543216210 /nfs/dbraw/zinc/21/62/10/543216210.db2.gz SIQVQNVNPCBFRO-LJQANCHMSA-N 1 2 368.481 2.088 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)CCO2)c1 ZINC000106194973 543216214 /nfs/dbraw/zinc/21/62/14/543216214.db2.gz SIQVQNVNPCBFRO-LJQANCHMSA-N 1 2 368.481 2.088 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3F)CCO2)n1 ZINC000106200317 543217380 /nfs/dbraw/zinc/21/73/80/543217380.db2.gz DLTBPMUKMOYDIL-YJBOKZPZSA-N 1 2 351.397 2.213 10 0 FEAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3F)CCO2)n1 ZINC000106200317 543217384 /nfs/dbraw/zinc/21/73/84/543217384.db2.gz DLTBPMUKMOYDIL-YJBOKZPZSA-N 1 2 351.397 2.213 10 0 FEAELO CCn1cnnc1C1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000107305820 543265749 /nfs/dbraw/zinc/26/57/49/543265749.db2.gz LJIRUZWPPHAEOI-CQSZACIVSA-N 1 2 352.446 2.214 10 0 FEAELO CCc1nc(CC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cs1 ZINC000109645036 543330199 /nfs/dbraw/zinc/33/01/99/543330199.db2.gz OBHLKBZHSPJBEO-KRWDZBQOSA-N 1 2 359.495 2.126 10 0 FEAELO Cc1nc(CC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)cs1 ZINC000109649183 543331182 /nfs/dbraw/zinc/33/11/82/543331182.db2.gz CRRGVHJTMZBFSP-UHFFFAOYSA-N 1 2 350.513 2.493 10 0 FEAELO Cc1nc(CC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)cs1 ZINC000109649183 543331184 /nfs/dbraw/zinc/33/11/84/543331184.db2.gz CRRGVHJTMZBFSP-UHFFFAOYSA-N 1 2 350.513 2.493 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cn1 ZINC000109663089 543333515 /nfs/dbraw/zinc/33/35/15/543333515.db2.gz KUIWGAGGMRDVMG-UHFFFAOYSA-N 1 2 352.442 2.127 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cn1 ZINC000109663089 543333518 /nfs/dbraw/zinc/33/35/18/543333518.db2.gz KUIWGAGGMRDVMG-UHFFFAOYSA-N 1 2 352.442 2.127 10 0 FEAELO Cc1ccc(N2CCC[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)CC2)nn1 ZINC000112345279 543442536 /nfs/dbraw/zinc/44/25/36/543442536.db2.gz BUYBUTGEZUYVSW-GOSISDBHSA-N 1 2 369.444 2.242 10 0 FEAELO Cc1ccc(N2CCC[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)CC2)nn1 ZINC000112345279 543442539 /nfs/dbraw/zinc/44/25/39/543442539.db2.gz BUYBUTGEZUYVSW-GOSISDBHSA-N 1 2 369.444 2.242 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCCOC[C@H]1CCCO1)C2 ZINC000112741335 543461569 /nfs/dbraw/zinc/46/15/69/543461569.db2.gz KKUOSHUMRVTGQA-OAHLLOKOSA-N 1 2 364.490 2.197 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)COc3ccc(C=O)cc3)CC2)cs1 ZINC000113173792 543476231 /nfs/dbraw/zinc/47/62/31/543476231.db2.gz WDUNXPSKRJWBND-UHFFFAOYSA-N 1 2 373.478 2.377 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)COc3ccc(C=O)cc3)CC2)cs1 ZINC000113173792 543476234 /nfs/dbraw/zinc/47/62/34/543476234.db2.gz WDUNXPSKRJWBND-UHFFFAOYSA-N 1 2 373.478 2.377 10 0 FEAELO Cc1ccc(OCc2cccc(C(=O)NC[C@H]3C[N@H+](C)CCO3)c2)cn1 ZINC000114321954 543509572 /nfs/dbraw/zinc/50/95/72/543509572.db2.gz IMTGQUJISJKBBW-IBGZPJMESA-N 1 2 355.438 2.029 10 0 FEAELO Cc1ccc(OCc2cccc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)c2)cn1 ZINC000114321954 543509575 /nfs/dbraw/zinc/50/95/75/543509575.db2.gz IMTGQUJISJKBBW-IBGZPJMESA-N 1 2 355.438 2.029 10 0 FEAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000114202040 543507359 /nfs/dbraw/zinc/50/73/59/543507359.db2.gz XPLBFLZPQGZALM-GOSISDBHSA-N 1 2 367.453 2.468 10 0 FEAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000114202040 543507361 /nfs/dbraw/zinc/50/73/61/543507361.db2.gz XPLBFLZPQGZALM-GOSISDBHSA-N 1 2 367.453 2.468 10 0 FEAELO Cc1ccc(CC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)s1 ZINC000117311765 543629860 /nfs/dbraw/zinc/62/98/60/543629860.db2.gz CKVRWUDZBIMSAL-KRWDZBQOSA-N 1 2 374.506 2.183 10 0 FEAELO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000124426525 543821224 /nfs/dbraw/zinc/82/12/24/543821224.db2.gz XOFHWGOBUBBAKZ-CQSZACIVSA-N 1 2 353.260 2.304 10 0 FEAELO CNc1c(Cl)ncnc1N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000124927035 543851260 /nfs/dbraw/zinc/85/12/60/543851260.db2.gz CAFNJDBFFLHTAF-UHFFFAOYSA-N 1 2 363.897 2.445 10 0 FEAELO C[C@H](CNC(=O)c1cc(F)c(F)cc1Br)[NH+]1CCOCC1 ZINC000127845304 544017271 /nfs/dbraw/zinc/01/72/71/544017271.db2.gz XNWVWDRYWDOZTK-SECBINFHSA-N 1 2 363.202 2.178 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cnn2c1CCCC2 ZINC000127632314 544005293 /nfs/dbraw/zinc/00/52/93/544005293.db2.gz MJXYFWAUYUYEHK-QGZVFWFLSA-N 1 2 374.510 2.426 10 0 FEAELO COc1ccc(/C=C\C(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1OC ZINC000101323595 222270371 /nfs/dbraw/zinc/27/03/71/222270371.db2.gz GXPBVYXOYUCXOU-NTMALXAHSA-N 1 2 371.441 2.278 10 0 FEAELO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000134003864 544291009 /nfs/dbraw/zinc/29/10/09/544291009.db2.gz LFTICBHREBGFSR-DZGCQCFKSA-N 1 2 369.303 2.465 10 0 FEAELO CC[C@@H](Cc1ccccc1Br)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000134003864 544291011 /nfs/dbraw/zinc/29/10/11/544291011.db2.gz LFTICBHREBGFSR-DZGCQCFKSA-N 1 2 369.303 2.465 10 0 FEAELO Nc1nc2ccc(-c3ccc(O)cc3)cc2c(OCC[NH+]2CCOCC2)n1 ZINC000142425886 544417162 /nfs/dbraw/zinc/41/71/62/544417162.db2.gz MHPBNXQQRDPYCX-UHFFFAOYSA-N 1 2 366.421 2.296 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C1 ZINC000150857521 544479671 /nfs/dbraw/zinc/47/96/71/544479671.db2.gz SUWSWHSUZVHTPE-CYBMUJFWSA-N 1 2 351.495 2.388 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)C1 ZINC000150857521 544479677 /nfs/dbraw/zinc/47/96/77/544479677.db2.gz SUWSWHSUZVHTPE-CYBMUJFWSA-N 1 2 351.495 2.388 10 0 FEAELO Cc1cc(-c2noc(CN3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)n2)ccc1F ZINC000151614533 544562388 /nfs/dbraw/zinc/56/23/88/544562388.db2.gz MPMOIPNULIALKZ-RHSMWYFYSA-N 1 2 360.433 2.337 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)c2cccs2)CCO1 ZINC000153360883 544766355 /nfs/dbraw/zinc/76/63/55/544766355.db2.gz SAYWGFRFDJNPLG-BBRMVZONSA-N 1 2 371.462 2.213 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)c2cccs2)CCO1 ZINC000153360883 544766360 /nfs/dbraw/zinc/76/63/60/544766360.db2.gz SAYWGFRFDJNPLG-BBRMVZONSA-N 1 2 371.462 2.213 10 0 FEAELO CCn1c(C)nnc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000155005941 544976266 /nfs/dbraw/zinc/97/62/66/544976266.db2.gz XCLZGBYLQRMCGT-UHFFFAOYSA-N 1 2 361.515 2.239 10 0 FEAELO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)c(OC)c1 ZINC000155233045 545004080 /nfs/dbraw/zinc/00/40/80/545004080.db2.gz IKDJSFQDUDXQKB-CYBMUJFWSA-N 1 2 370.413 2.182 10 0 FEAELO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)c(OC)c1 ZINC000155233045 545004083 /nfs/dbraw/zinc/00/40/83/545004083.db2.gz IKDJSFQDUDXQKB-CYBMUJFWSA-N 1 2 370.413 2.182 10 0 FEAELO COC(=O)C1([NH2+]C[C@H](O)COc2cccc(Br)c2)CCCC1 ZINC000179530069 327648236 /nfs/dbraw/zinc/64/82/36/327648236.db2.gz LDUATQTXCSADBL-ZDUSSCGKSA-N 1 2 372.259 2.264 10 0 FEAELO Clc1ccc(C2=NO[C@@H](C[NH+]3CCN(c4cccnn4)CC3)C2)cc1 ZINC000179606196 327651669 /nfs/dbraw/zinc/65/16/69/327651669.db2.gz UHYKKHNRYXASJO-MRXNPFEDSA-N 1 2 357.845 2.445 10 0 FEAELO CC(C)c1nnc2n1C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)CC2 ZINC000181715346 327743371 /nfs/dbraw/zinc/74/33/71/327743371.db2.gz GXTPPHPTINYZQS-OAHLLOKOSA-N 1 2 371.489 2.303 10 0 FEAELO Cc1cccc2nc(C3CCN(C(=O)NC[C@H]4C[N@H+](C)CCO4)CC3)oc21 ZINC000188540481 328094059 /nfs/dbraw/zinc/09/40/59/328094059.db2.gz FZJIOKLSSDUBEQ-INIZCTEOSA-N 1 2 372.469 2.356 10 0 FEAELO Cc1cccc2nc(C3CCN(C(=O)NC[C@H]4C[N@@H+](C)CCO4)CC3)oc21 ZINC000188540481 328094061 /nfs/dbraw/zinc/09/40/61/328094061.db2.gz FZJIOKLSSDUBEQ-INIZCTEOSA-N 1 2 372.469 2.356 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)n1 ZINC000189189747 328134112 /nfs/dbraw/zinc/13/41/12/328134112.db2.gz PKBDDWMJNMQUKB-LLVKDONJSA-N 1 2 368.375 2.228 10 0 FEAELO CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(O)c1 ZINC000190521389 328213544 /nfs/dbraw/zinc/21/35/44/328213544.db2.gz ASVOHKLVDLVCMV-CRAIPNDOSA-N 1 2 362.470 2.364 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(OC)cc3)CCO2)cn1 ZINC000190740888 328229335 /nfs/dbraw/zinc/22/93/35/328229335.db2.gz NTTKJSRLIBZCEP-SFHVURJKSA-N 1 2 358.442 2.314 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(OC)cc3)CCO2)cn1 ZINC000190740888 328229336 /nfs/dbraw/zinc/22/93/36/328229336.db2.gz NTTKJSRLIBZCEP-SFHVURJKSA-N 1 2 358.442 2.314 10 0 FEAELO CCC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000190770499 328231687 /nfs/dbraw/zinc/23/16/87/328231687.db2.gz UXXVNNDNOIJFRR-MRXNPFEDSA-N 1 2 354.410 2.106 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccc(Cl)cn1)C2 ZINC000193794669 328395801 /nfs/dbraw/zinc/39/58/01/328395801.db2.gz HQLDYIQWDOUONL-UHFFFAOYSA-N 1 2 361.833 2.115 10 0 FEAELO COc1cc(CCNC(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OC(F)F ZINC000015255297 324381830 /nfs/dbraw/zinc/38/18/30/324381830.db2.gz PQUDQFCALCHRNO-STQMWFEESA-N 1 2 372.412 2.065 10 0 FEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000065790838 324880277 /nfs/dbraw/zinc/88/02/77/324880277.db2.gz FXYKQYNAIQBBDB-KBMXLJTQSA-N 1 2 354.410 2.214 10 0 FEAELO C[C@@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471084 324945968 /nfs/dbraw/zinc/94/59/68/324945968.db2.gz HXHCRBROQWVAMB-ZIAGYGMSSA-N 1 2 364.471 2.008 10 0 FEAELO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000076999887 324973495 /nfs/dbraw/zinc/97/34/95/324973495.db2.gz IINYUUHPMUMSBR-VQTJNVASSA-N 1 2 369.509 2.159 10 0 FEAELO CCc1noc(-c2ccc(C)c(NC(=O)NC[C@@H](C)[NH+]3CCOCC3)c2)n1 ZINC000079834343 325106161 /nfs/dbraw/zinc/10/61/61/325106161.db2.gz FSALKCJCKCOQDA-CQSZACIVSA-N 1 2 373.457 2.450 10 0 FEAELO CCOc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1CC ZINC000083066916 325212581 /nfs/dbraw/zinc/21/25/81/325212581.db2.gz PBCRACIOTITEEF-ZDUSSCGKSA-N 1 2 365.455 2.244 10 0 FEAELO Cc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)c(OCC2CC2)c1 ZINC000087035882 325271603 /nfs/dbraw/zinc/27/16/03/325271603.db2.gz OAMGYLLRIDUDJX-MRXNPFEDSA-N 1 2 361.486 2.304 10 0 FEAELO CC(C)CCOCCNC(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106370024 325595780 /nfs/dbraw/zinc/59/57/80/325595780.db2.gz GFTPJCZOIBHCNA-UHFFFAOYSA-N 1 2 350.507 2.081 10 0 FEAELO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccccc1Cl)[NH+]1CCOCC1 ZINC000108774844 325650117 /nfs/dbraw/zinc/65/01/17/325650117.db2.gz SCYMLPAHVLANMG-ZDUSSCGKSA-N 1 2 362.861 2.191 10 0 FEAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCO[C@H](c2nccs2)C1 ZINC000111815664 325737229 /nfs/dbraw/zinc/73/72/29/325737229.db2.gz QBWSVAMTEMORPF-AWEZNQCLSA-N 1 2 370.438 2.007 10 0 FEAELO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000117369614 326059255 /nfs/dbraw/zinc/05/92/55/326059255.db2.gz HDNJFIGAAHDWSN-GFCCVEGCSA-N 1 2 366.405 2.047 10 0 FEAELO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000117369614 326059256 /nfs/dbraw/zinc/05/92/56/326059256.db2.gz HDNJFIGAAHDWSN-GFCCVEGCSA-N 1 2 366.405 2.047 10 0 FEAELO Cc1cnn(CCNC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000118056298 326078261 /nfs/dbraw/zinc/07/82/61/326078261.db2.gz HEACTLSJAIJPQO-INIZCTEOSA-N 1 2 356.405 2.153 10 0 FEAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000119590671 326178427 /nfs/dbraw/zinc/17/84/27/326178427.db2.gz OKYPKQXGSKNMBD-GOSISDBHSA-N 1 2 367.449 2.072 10 0 FEAELO O=C1c2ccccc2C(=O)N1CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120940380 326300602 /nfs/dbraw/zinc/30/06/02/326300602.db2.gz DLIPQIPCWHTIRO-SCLBCKFNSA-N 1 2 372.371 2.369 10 0 FEAELO O=C1c2ccccc2C(=O)N1CC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000120940380 326300605 /nfs/dbraw/zinc/30/06/05/326300605.db2.gz DLIPQIPCWHTIRO-SCLBCKFNSA-N 1 2 372.371 2.369 10 0 FEAELO Cc1nc(CC(C)C)c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)s1 ZINC000121360324 326332664 /nfs/dbraw/zinc/33/26/64/326332664.db2.gz MAXPYSIHUPCFOS-CJNGLKHVSA-N 1 2 351.516 2.443 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCO[C@H](C)CC(C)C)nc[nH+]1 ZINC000121380174 326334110 /nfs/dbraw/zinc/33/41/10/326334110.db2.gz UDCSOCJHOSXAIA-CVEARBPZSA-N 1 2 363.506 2.445 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCO[C@H](C)CC(C)C)[nH+]cn1 ZINC000121380174 326334112 /nfs/dbraw/zinc/33/41/12/326334112.db2.gz UDCSOCJHOSXAIA-CVEARBPZSA-N 1 2 363.506 2.445 10 0 FEAELO C[C@H]1CC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)O1 ZINC000125409611 326471117 /nfs/dbraw/zinc/47/11/17/326471117.db2.gz BWQGGEYJGVAGTF-YOEHRIQHSA-N 1 2 352.862 2.431 10 0 FEAELO C[C@H]1CC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)O1 ZINC000125409193 326471181 /nfs/dbraw/zinc/47/11/81/326471181.db2.gz BWQGGEYJGVAGTF-WMLDXEAASA-N 1 2 352.862 2.431 10 0 FEAELO O=C(NCc1cccc2c1OCCCO2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000152239460 326702351 /nfs/dbraw/zinc/70/23/51/326702351.db2.gz TXNJCQWXTJNIRF-MRXNPFEDSA-N 1 2 356.426 2.419 10 0 FEAELO CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)s1 ZINC000153642608 326738575 /nfs/dbraw/zinc/73/85/75/326738575.db2.gz QZFAYLATYMJMBJ-HNNXBMFYSA-N 1 2 362.499 2.223 10 0 FEAELO C[C@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000158119971 326885886 /nfs/dbraw/zinc/88/58/86/326885886.db2.gz QSNTYGUGPYECPL-OLZOCXBDSA-N 1 2 355.276 2.390 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC2(C3CC3)CCC2)CC1 ZINC000162797822 327035095 /nfs/dbraw/zinc/03/50/95/327035095.db2.gz SRIRVIKDWAPYJM-UHFFFAOYSA-N 1 2 359.518 2.444 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000171408801 327137511 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COc1ccc(-c2noc(C[N@H+]3CCCN(c4cccnn4)CC3)n2)cc1 ZINC000106070882 543188751 /nfs/dbraw/zinc/18/87/51/543188751.db2.gz DYXATIJNVKYOAL-UHFFFAOYSA-N 1 2 366.425 2.248 10 0 FEAELO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106080611 543191572 /nfs/dbraw/zinc/19/15/72/543191572.db2.gz HAFGQXVHGIDXJT-CQSZACIVSA-N 1 2 350.430 2.090 10 0 FEAELO CCOc1ccccc1NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082528 543192597 /nfs/dbraw/zinc/19/25/97/543192597.db2.gz DRUPNOVJWGTSJX-UHFFFAOYSA-N 1 2 355.442 2.390 10 0 FEAELO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N3CCC(C)CC3)CC2)s1 ZINC000106091382 543194596 /nfs/dbraw/zinc/19/45/96/543194596.db2.gz KHULVSFDECDLFQ-HNNXBMFYSA-N 1 2 350.532 2.216 10 0 FEAELO Cc1ncc(CN2CC[NH+]([C@@H](C)C(=O)N3CCC(C)CC3)CC2)s1 ZINC000106091382 543194597 /nfs/dbraw/zinc/19/45/97/543194597.db2.gz KHULVSFDECDLFQ-HNNXBMFYSA-N 1 2 350.532 2.216 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](CC(=O)N(C)Cc3ccccc3C)CC2)n1 ZINC000106133395 543206291 /nfs/dbraw/zinc/20/62/91/543206291.db2.gz 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CCn1cc[nH+]c1CN1C(=O)N[C@@](C)(CCc2ccc(OC)cc2)C1=O ZINC000106435950 543230221 /nfs/dbraw/zinc/23/02/21/543230221.db2.gz RONZLUZEPPASKI-IBGZPJMESA-N 1 2 356.426 2.355 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(OC)c3O)CC2)cn1 ZINC000109663977 543333399 /nfs/dbraw/zinc/33/33/99/543333399.db2.gz YTYGPJAQOWRQKO-UHFFFAOYSA-N 1 2 372.469 2.355 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(OC)c3O)CC2)cn1 ZINC000109663977 543333401 /nfs/dbraw/zinc/33/34/01/543333401.db2.gz YTYGPJAQOWRQKO-UHFFFAOYSA-N 1 2 372.469 2.355 10 0 FEAELO CCc1ccc(-c2nc(CC(=O)NC[C@@H]3C[N@H+](C)CCO3)cs2)cc1 ZINC000110673488 543364655 /nfs/dbraw/zinc/36/46/55/543364655.db2.gz MAMHXCPQAPKZEX-QGZVFWFLSA-N 1 2 359.495 2.362 10 0 FEAELO CCc1ccc(-c2nc(CC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cs2)cc1 ZINC000110673488 543364660 /nfs/dbraw/zinc/36/46/60/543364660.db2.gz MAMHXCPQAPKZEX-QGZVFWFLSA-N 1 2 359.495 2.362 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000115768047 543584442 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548913872 /nfs/dbraw/zinc/91/38/72/548913872.db2.gz LASKCXOQQRPXGV-BQFCYCMXSA-N 1 2 356.470 2.480 10 0 FEAELO c1cnn(C[C@@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000245598014 548954424 /nfs/dbraw/zinc/95/44/24/548954424.db2.gz HZNXXOQJJZXWOY-UXHICEINSA-N 1 2 357.454 2.342 10 0 FEAELO c1cnn(C[C@@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000245598014 548954427 /nfs/dbraw/zinc/95/44/27/548954427.db2.gz HZNXXOQJJZXWOY-UXHICEINSA-N 1 2 357.454 2.342 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2Cc3ccccc32)nc[nH+]1 ZINC000245595817 548954671 /nfs/dbraw/zinc/95/46/71/548954671.db2.gz BUYLBQMEIQCGCN-CVEARBPZSA-N 1 2 366.469 2.126 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)NC[C@H]2Cc3ccccc32)[nH+]cn1 ZINC000245595817 548954674 /nfs/dbraw/zinc/95/46/74/548954674.db2.gz BUYLBQMEIQCGCN-CVEARBPZSA-N 1 2 366.469 2.126 10 0 FEAELO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000245726458 548983818 /nfs/dbraw/zinc/98/38/18/548983818.db2.gz IWRFUKKNUBYEBM-VQIMIIECSA-N 1 2 373.453 2.033 10 0 FEAELO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000245726458 548983822 /nfs/dbraw/zinc/98/38/22/548983822.db2.gz IWRFUKKNUBYEBM-VQIMIIECSA-N 1 2 373.453 2.033 10 0 FEAELO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCC[C@H]1CO)c1cccc(F)c1 ZINC000246237919 549086507 /nfs/dbraw/zinc/08/65/07/549086507.db2.gz RDTOWONNKYWJGL-USXIJHARSA-N 1 2 360.433 2.499 10 0 FEAELO C[C@H]1CN(CC(=O)N(C)Cc2ccc(Cl)s2)C[C@H]1[NH+]1CCOCC1 ZINC000246296250 549099038 /nfs/dbraw/zinc/09/90/38/549099038.db2.gz BLDGKYNZNRXZNS-DZGCQCFKSA-N 1 2 371.934 2.012 10 0 FEAELO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246325102 549106069 /nfs/dbraw/zinc/10/60/69/549106069.db2.gz IUVPTSRJNBMRSI-DOTOQJQBSA-N 1 2 364.467 2.103 10 0 FEAELO COc1ccccc1COC[C@@H](O)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246325102 549106074 /nfs/dbraw/zinc/10/60/74/549106074.db2.gz IUVPTSRJNBMRSI-DOTOQJQBSA-N 1 2 364.467 2.103 10 0 FEAELO C[N@@H+]1CCO[C@@H](CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246640360 549180970 /nfs/dbraw/zinc/18/09/70/549180970.db2.gz XBRFXESQAYJXOI-RBUKOAKNSA-N 1 2 357.429 2.426 10 0 FEAELO C[N@H+]1CCO[C@@H](CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000246640360 549180973 /nfs/dbraw/zinc/18/09/73/549180973.db2.gz XBRFXESQAYJXOI-RBUKOAKNSA-N 1 2 357.429 2.426 10 0 FEAELO O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000246781779 549211090 /nfs/dbraw/zinc/21/10/90/549211090.db2.gz IYFCKNLOHUJARE-HRCADAONSA-N 1 2 350.409 2.392 10 0 FEAELO C[C@H](NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)[C@@H]1CCCO1 ZINC000246836612 549224794 /nfs/dbraw/zinc/22/47/94/549224794.db2.gz LEGYXFQIDSISCQ-QXSJWSMHSA-N 1 2 367.515 2.377 10 0 FEAELO C[C@H](NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)[C@@H]1CCCO1 ZINC000246836612 549224798 /nfs/dbraw/zinc/22/47/98/549224798.db2.gz LEGYXFQIDSISCQ-QXSJWSMHSA-N 1 2 367.515 2.377 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)CC2(O)CCCC2)c2cccs2)CCO1 ZINC000246886607 549235528 /nfs/dbraw/zinc/23/55/28/549235528.db2.gz 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CCOCCN1CC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000155093531 544989149 /nfs/dbraw/zinc/98/91/49/544989149.db2.gz HPJWDDDCCUALJI-ROUUACIJSA-N 1 2 359.514 2.002 10 0 FEAELO CCOCCN1CC[N@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000155093531 544989153 /nfs/dbraw/zinc/98/91/53/544989153.db2.gz HPJWDDDCCUALJI-ROUUACIJSA-N 1 2 359.514 2.002 10 0 FEAELO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)nn1-c1ccc(C)cc1 ZINC000180093609 327670763 /nfs/dbraw/zinc/67/07/63/327670763.db2.gz BZIUIVNROCLOEZ-GOSISDBHSA-N 1 2 369.469 2.428 10 0 FEAELO CCOc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc(Cl)c1O ZINC000186839382 327985548 /nfs/dbraw/zinc/98/55/48/327985548.db2.gz DCHJXVFXGVFMFH-SWLSCSKDSA-N 1 2 368.861 2.237 10 0 FEAELO CC[C@H]1CN(C(=O)c2nc(Br)cs2)CC[N@@H+]1CCOC ZINC000188876034 328115486 /nfs/dbraw/zinc/11/54/86/328115486.db2.gz ONKSQQYDSALOJT-JTQLQIEISA-N 1 2 362.293 2.088 10 0 FEAELO CC[C@H]1CN(C(=O)c2nc(Br)cs2)CC[N@H+]1CCOC ZINC000188876034 328115487 /nfs/dbraw/zinc/11/54/87/328115487.db2.gz ONKSQQYDSALOJT-JTQLQIEISA-N 1 2 362.293 2.088 10 0 FEAELO C[C@H]1C[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)C[C@@H]1N1CCOCC1 ZINC000189073928 328126948 /nfs/dbraw/zinc/12/69/48/328126948.db2.gz APNUFDDHEVVTBL-LRDDRELGSA-N 1 2 364.396 2.167 10 0 FEAELO C[C@H]1C[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C[C@@H]1N1CCOCC1 ZINC000189073928 328126950 /nfs/dbraw/zinc/12/69/50/328126950.db2.gz APNUFDDHEVVTBL-LRDDRELGSA-N 1 2 364.396 2.167 10 0 FEAELO Cc1ccnc(-n2nccc2NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000189836683 328170794 /nfs/dbraw/zinc/17/07/94/328170794.db2.gz DZQKWRGMDSIQQS-OAHLLOKOSA-N 1 2 351.414 2.469 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)CCc2ccncn2)c2cccs2)CCO1 ZINC000191274465 328257827 /nfs/dbraw/zinc/25/78/27/328257827.db2.gz QKPLZDXXAHUPDO-HOCLYGCPSA-N 1 2 360.483 2.049 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)CCc2ccncn2)c2cccs2)CCO1 ZINC000191274465 328257828 /nfs/dbraw/zinc/25/78/28/328257828.db2.gz QKPLZDXXAHUPDO-HOCLYGCPSA-N 1 2 360.483 2.049 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)cn1 ZINC000191611499 328273866 /nfs/dbraw/zinc/27/38/66/328273866.db2.gz YUFNVYWEZNRECE-UHFFFAOYSA-N 1 2 370.501 2.243 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)cn1 ZINC000191611499 328273867 /nfs/dbraw/zinc/27/38/67/328273867.db2.gz YUFNVYWEZNRECE-UHFFFAOYSA-N 1 2 370.501 2.243 10 0 FEAELO CC(=O)NC1C[NH+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000191728857 328279025 /nfs/dbraw/zinc/27/90/25/328279025.db2.gz AOIRDZMIZFWPDC-IRLDBZIGSA-N 1 2 368.477 2.282 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192563276 328325734 /nfs/dbraw/zinc/32/57/34/328325734.db2.gz YJDUTBOFJSCVQZ-AWEZNQCLSA-N 1 2 366.462 2.090 10 0 FEAELO CCn1cnnc1[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000192563276 328325735 /nfs/dbraw/zinc/32/57/35/328325735.db2.gz YJDUTBOFJSCVQZ-AWEZNQCLSA-N 1 2 366.462 2.090 10 0 FEAELO Cc1ccc([C@H](CNC(=O)[C@H]2CCOC[C@@H]2C)[NH+]2CCOCC2)s1 ZINC000192622647 328328952 /nfs/dbraw/zinc/32/89/52/328328952.db2.gz CJVUGXPMMNRUJA-BPUTZDHNSA-N 1 2 352.500 2.219 10 0 FEAELO COc1ccc(NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000027927619 324436145 /nfs/dbraw/zinc/43/61/45/324436145.db2.gz CRNFOVNNIGALIM-UHFFFAOYSA-N 1 2 357.458 2.395 10 0 FEAELO CC(C)[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1nc2ccccc2[nH]1 ZINC000043105438 324539525 /nfs/dbraw/zinc/53/95/25/324539525.db2.gz RQTLPDTWQREQCI-RHSMWYFYSA-N 1 2 359.474 2.280 10 0 FEAELO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000077367010 324987818 /nfs/dbraw/zinc/98/78/18/324987818.db2.gz AGNNUSICCCLRJO-HUUCEWRRSA-N 1 2 356.470 2.215 10 0 FEAELO C[C@@H](CNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1)[NH+]1CCOCC1 ZINC000078445200 325046319 /nfs/dbraw/zinc/04/63/19/325046319.db2.gz DZEUJBLYYIOSFN-KBPBESRZSA-N 1 2 362.499 2.194 10 0 FEAELO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000082985466 325209001 /nfs/dbraw/zinc/20/90/01/325209001.db2.gz CERKGJUHQICYGZ-UFYCRDLUSA-N 1 2 360.498 2.065 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000083066858 325212504 /nfs/dbraw/zinc/21/25/04/325212504.db2.gz OKENFWFCGBHOHF-OLZOCXBDSA-N 1 2 367.446 2.223 10 0 FEAELO CCCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000103068709 325505077 /nfs/dbraw/zinc/50/50/77/325505077.db2.gz KUQUDEFVULKEFP-MRXNPFEDSA-N 1 2 372.469 2.112 10 0 FEAELO CN(c1cccnn1)C1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000106084910 325577919 /nfs/dbraw/zinc/57/79/19/325577919.db2.gz BQVFTIDPCQUWEH-UHFFFAOYSA-N 1 2 361.396 2.294 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000106132249 325584959 /nfs/dbraw/zinc/58/49/59/325584959.db2.gz AWBCLQNZDMOHTE-ZBEGNZNMSA-N 1 2 352.385 2.068 10 0 FEAELO Cc1ccccc1[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCOCC2)[C@@H](C)CO1 ZINC000245593048 328560076 /nfs/dbraw/zinc/56/00/76/328560076.db2.gz BHYQQVUKZFRCQA-LNLFQRSKSA-N 1 2 361.486 2.187 10 0 FEAELO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)cc1S(N)(=O)=O ZINC000116292955 326004016 /nfs/dbraw/zinc/00/40/16/326004016.db2.gz OMEGQRJVJJUFKQ-CQSZACIVSA-N 1 2 363.439 2.011 10 0 FEAELO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)cc1S(N)(=O)=O ZINC000116292955 326004020 /nfs/dbraw/zinc/00/40/20/326004020.db2.gz OMEGQRJVJJUFKQ-CQSZACIVSA-N 1 2 363.439 2.011 10 0 FEAELO CCc1onc(C)c1NC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000119243945 326141174 /nfs/dbraw/zinc/14/11/74/326141174.db2.gz PVGREBGWOZOLPE-MRXNPFEDSA-N 1 2 358.442 2.429 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000120862763 326294201 /nfs/dbraw/zinc/29/42/01/326294201.db2.gz FRHJOWIMWOAPMV-BETUJISGSA-N 1 2 360.376 2.353 10 0 FEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000120862763 326294202 /nfs/dbraw/zinc/29/42/02/326294202.db2.gz FRHJOWIMWOAPMV-BETUJISGSA-N 1 2 360.376 2.353 10 0 FEAELO C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1nnc2n1CCCC2 ZINC000121306393 326328608 /nfs/dbraw/zinc/32/86/08/326328608.db2.gz DZPLXOQUUVQAJB-GJZGRUSLSA-N 1 2 371.489 2.073 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3nnc(C)s3)CC2)cn1 ZINC000121902225 326374901 /nfs/dbraw/zinc/37/49/01/326374901.db2.gz OMZQWGGCXRUWNX-UHFFFAOYSA-N 1 2 363.491 2.193 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3nnc(C)s3)CC2)cn1 ZINC000121902225 326374902 /nfs/dbraw/zinc/37/49/02/326374902.db2.gz OMZQWGGCXRUWNX-UHFFFAOYSA-N 1 2 363.491 2.193 10 0 FEAELO C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000128152677 326518882 /nfs/dbraw/zinc/51/88/82/326518882.db2.gz VCBOSMIJOAJRQN-CZUORRHYSA-N 1 2 374.403 2.008 10 0 FEAELO CC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000128465744 326524270 /nfs/dbraw/zinc/52/42/70/326524270.db2.gz KYKXMRSUHUIUJB-PXAZEXFGSA-N 1 2 365.861 2.091 10 0 FEAELO Cc1nc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1Br ZINC000128525069 326525269 /nfs/dbraw/zinc/52/52/69/326525269.db2.gz OWALMMOHESTTNL-LBPRGKRZSA-N 1 2 369.263 2.091 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CCCO1 ZINC000133089376 326602867 /nfs/dbraw/zinc/60/28/67/326602867.db2.gz UOHDJRKBSJIRKX-CRAIPNDOSA-N 1 2 367.515 2.332 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)COc2cc(C)ccc2F)CC1 ZINC000151690763 326688787 /nfs/dbraw/zinc/68/87/87/326688787.db2.gz IIGLASSEGFYQLS-UHFFFAOYSA-N 1 2 374.460 2.208 10 0 FEAELO C[C@H](CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000153384225 326731598 /nfs/dbraw/zinc/73/15/98/326731598.db2.gz LECKMZHZKGRETA-CABCVRRESA-N 1 2 350.463 2.283 10 0 FEAELO C[C@@]1(c2ccccc2)CN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCO1 ZINC000162435653 327025727 /nfs/dbraw/zinc/02/57/27/327025727.db2.gz UQKGZCIOHZEFLW-XLIONFOSSA-N 1 2 354.454 2.190 10 0 FEAELO C[C@@]1(c2ccccc2)CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCO1 ZINC000162435653 327025728 /nfs/dbraw/zinc/02/57/28/327025728.db2.gz UQKGZCIOHZEFLW-XLIONFOSSA-N 1 2 354.454 2.190 10 0 FEAELO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000163379174 327049958 /nfs/dbraw/zinc/04/99/58/327049958.db2.gz CQROMKGHTSVASN-HNNXBMFYSA-N 1 2 363.439 2.011 10 0 FEAELO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000163379174 327049959 /nfs/dbraw/zinc/04/99/59/327049959.db2.gz CQROMKGHTSVASN-HNNXBMFYSA-N 1 2 363.439 2.011 10 0 FEAELO CN(c1cccnn1)C1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000170941083 327108528 /nfs/dbraw/zinc/10/85/28/327108528.db2.gz NSNYPRQMOGXMSW-UHFFFAOYSA-N 1 2 374.510 2.241 10 0 FEAELO Cc1ccccc1CN(C)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000171674579 327154259 /nfs/dbraw/zinc/15/42/59/327154259.db2.gz VNUIKGYBHFNUFS-UHFFFAOYSA-N 1 2 363.483 2.346 10 0 FEAELO CC[C@H](C)[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000172330626 327196187 /nfs/dbraw/zinc/19/61/87/327196187.db2.gz WZHDZGOHYLNUMP-KSZLIROESA-N 1 2 363.502 2.188 10 0 FEAELO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000172433653 327201689 /nfs/dbraw/zinc/20/16/89/327201689.db2.gz IDADAVCNSUMJEH-INIZCTEOSA-N 1 2 364.453 2.262 10 0 FEAELO CSc1nccn1-c1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000172747014 327216581 /nfs/dbraw/zinc/21/65/81/327216581.db2.gz GJYXDSZAXLMWIV-KRWDZBQOSA-N 1 2 372.494 2.141 10 0 FEAELO CC(C)(C)CNC(=O)c1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000172745759 327216593 /nfs/dbraw/zinc/21/65/93/327216593.db2.gz GFZWDXOWTQKZLW-SFHVURJKSA-N 1 2 373.497 2.009 10 0 FEAELO O=C(c1occc1COc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757292 327217430 /nfs/dbraw/zinc/21/74/30/327217430.db2.gz YGQRACLGPCGBJR-QGZVFWFLSA-N 1 2 356.422 2.405 10 0 FEAELO O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172760216 327217534 /nfs/dbraw/zinc/21/75/34/327217534.db2.gz RLVFOIDFIBASHK-KRWDZBQOSA-N 1 2 360.845 2.072 10 0 FEAELO O=C(CCc1ccc(OC(F)F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172763013 327217581 /nfs/dbraw/zinc/21/75/81/327217581.db2.gz OZLDSLAPMWYOEP-OAHLLOKOSA-N 1 2 354.397 2.154 10 0 FEAELO CSc1ccc(O[C@H](C)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000172765227 327217808 /nfs/dbraw/zinc/21/78/08/327217808.db2.gz BROICJDLSHAWSH-HUUCEWRRSA-N 1 2 350.484 2.109 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@H](C)c2ccco2)nc[nH+]1 ZINC000173418546 327254824 /nfs/dbraw/zinc/25/48/24/327254824.db2.gz CZJPGWJWZUROPV-ZIAGYGMSSA-N 1 2 358.446 2.483 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)[C@H](C)c2ccco2)[nH+]cn1 ZINC000173418546 327254826 /nfs/dbraw/zinc/25/48/26/327254826.db2.gz CZJPGWJWZUROPV-ZIAGYGMSSA-N 1 2 358.446 2.483 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2cccnc2)nc[nH+]1 ZINC000173422957 327255644 /nfs/dbraw/zinc/25/56/44/327255644.db2.gz SKZJKWLRIYWTFN-HOCLYGCPSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)[C@@H](C)c2cccnc2)[nH+]cn1 ZINC000173422957 327255645 /nfs/dbraw/zinc/25/56/45/327255645.db2.gz SKZJKWLRIYWTFN-HOCLYGCPSA-N 1 2 369.473 2.285 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)c2ccc(C)o2)nc[nH+]1 ZINC000173464662 327259168 /nfs/dbraw/zinc/25/91/68/327259168.db2.gz GOQQNDGEHUBAPG-ZIAGYGMSSA-N 1 2 358.446 2.449 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)c2ccc(C)o2)[nH+]cn1 ZINC000173464662 327259170 /nfs/dbraw/zinc/25/91/70/327259170.db2.gz GOQQNDGEHUBAPG-ZIAGYGMSSA-N 1 2 358.446 2.449 10 0 FEAELO CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000173621452 327271527 /nfs/dbraw/zinc/27/15/27/327271527.db2.gz QLRBXALWVIAEKU-HNNXBMFYSA-N 1 2 371.441 2.397 10 0 FEAELO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1F)c1nnc2n1CCCC2 ZINC000173630387 327272346 /nfs/dbraw/zinc/27/23/46/327272346.db2.gz MCFNHDQPKSERBO-NEPJUHHUSA-N 1 2 374.420 2.141 10 0 FEAELO Cc1ccc([C@H](CNC(=O)NCc2cccnc2)[NH+]2CCOCC2)s1 ZINC000173646291 327273437 /nfs/dbraw/zinc/27/34/37/327273437.db2.gz NPUPREKXCYWPDY-INIZCTEOSA-N 1 2 360.483 2.324 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@H](O)COc3cccc4ccccc43)CCO2)[nH]1 ZINC000173657169 327274157 /nfs/dbraw/zinc/27/41/57/327274157.db2.gz AKJXTBJDMIDLNA-QFBILLFUSA-N 1 2 368.437 2.080 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@H](O)COc3cccc4ccccc43)CCO2)[nH]1 ZINC000173657169 327274158 /nfs/dbraw/zinc/27/41/58/327274158.db2.gz AKJXTBJDMIDLNA-QFBILLFUSA-N 1 2 368.437 2.080 10 0 FEAELO COC(C)(C)C[C@H](C)NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000173784617 327283945 /nfs/dbraw/zinc/28/39/45/327283945.db2.gz MVUDNEAKVMYWAB-AWEZNQCLSA-N 1 2 365.522 2.068 10 0 FEAELO C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173842136 327288178 /nfs/dbraw/zinc/28/81/78/327288178.db2.gz OHFHDSZNVBWCMY-PBHICJAKSA-N 1 2 350.434 2.162 10 0 FEAELO CCn1cc(Br)cc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173865140 327289932 /nfs/dbraw/zinc/28/99/32/327289932.db2.gz NFJHYVJWUQKWII-SWLSCSKDSA-N 1 2 370.291 2.063 10 0 FEAELO Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173870260 327290043 /nfs/dbraw/zinc/29/00/43/327290043.db2.gz SPIBIOHJHWFSRQ-GDBMZVCRSA-N 1 2 352.862 2.206 10 0 FEAELO O=C(NCCc1ccc2ccccc2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173876368 327290694 /nfs/dbraw/zinc/29/06/94/327290694.db2.gz DKIHKMBPSUDCHN-HXUWFJFHSA-N 1 2 353.466 2.498 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173880406 327290936 /nfs/dbraw/zinc/29/09/36/327290936.db2.gz OVXJDWZFIFGWLJ-QAPCUYQASA-N 1 2 368.437 2.062 10 0 FEAELO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000173883553 327291144 /nfs/dbraw/zinc/29/11/44/327291144.db2.gz NRYMUYCWRQYPIW-OAHLLOKOSA-N 1 2 360.462 2.306 10 0 FEAELO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cccnn3)CC2)n1 ZINC000173883553 327291145 /nfs/dbraw/zinc/29/11/45/327291145.db2.gz NRYMUYCWRQYPIW-OAHLLOKOSA-N 1 2 360.462 2.306 10 0 FEAELO COc1ccc([C@H](C)CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173895121 327292167 /nfs/dbraw/zinc/29/21/67/327292167.db2.gz FTVNCZLDOOPYHO-AEFFLSMTSA-N 1 2 361.486 2.305 10 0 FEAELO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1C(=O)NC(C)C ZINC000173902374 327293015 /nfs/dbraw/zinc/29/30/15/327293015.db2.gz PJJCCZWVBQHQAO-KRWDZBQOSA-N 1 2 374.485 2.072 10 0 FEAELO C[C@H](NC(=O)c1ccc(-n2cncn2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173924546 327294800 /nfs/dbraw/zinc/29/48/00/327294800.db2.gz BEAPFJFMCQAZPF-AWEZNQCLSA-N 1 2 359.393 2.339 10 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ZINC000174012685 327301577 /nfs/dbraw/zinc/30/15/77/327301577.db2.gz IFHNMLITJVYLLW-OAHLLOKOSA-N 1 2 355.442 2.245 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(-c2ccncc2)cc1 ZINC000174242333 327315158 /nfs/dbraw/zinc/31/51/58/327315158.db2.gz FJKNDHIYNJWETG-BEFAXECRSA-N 1 2 354.454 2.439 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(-c2ccncc2)cc1 ZINC000174242333 327315159 /nfs/dbraw/zinc/31/51/59/327315159.db2.gz FJKNDHIYNJWETG-BEFAXECRSA-N 1 2 354.454 2.439 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)cc2OC)nc[nH+]1 ZINC000174858714 327355679 /nfs/dbraw/zinc/35/56/79/327355679.db2.gz DMSGQWUNELNKDC-CYBMUJFWSA-N 1 2 374.420 2.457 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)cc2OC)[nH+]cn1 ZINC000174858714 327355680 /nfs/dbraw/zinc/35/56/80/327355680.db2.gz DMSGQWUNELNKDC-CYBMUJFWSA-N 1 2 374.420 2.457 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000174866141 327356132 /nfs/dbraw/zinc/35/61/32/327356132.db2.gz HWKASSJHQPWECD-UKRRQHHQSA-N 1 2 370.457 2.253 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)c2cccc(O)c2)[nH+]cn1 ZINC000174866141 327356133 /nfs/dbraw/zinc/35/61/33/327356133.db2.gz HWKASSJHQPWECD-UKRRQHHQSA-N 1 2 370.457 2.253 10 0 FEAELO CC[C@@H](NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)c1ccncc1 ZINC000175304796 327385983 /nfs/dbraw/zinc/38/59/83/327385983.db2.gz NGCBFGLYLUNYMR-LJQANCHMSA-N 1 2 370.501 2.410 10 0 FEAELO CC[C@@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccncc1 ZINC000175310368 327386269 /nfs/dbraw/zinc/38/62/69/327386269.db2.gz USPVXVOSSVIEAX-HZPDHXFCSA-N 1 2 369.473 2.333 10 0 FEAELO CC[C@@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccncc1 ZINC000175310368 327386271 /nfs/dbraw/zinc/38/62/71/327386271.db2.gz USPVXVOSSVIEAX-HZPDHXFCSA-N 1 2 369.473 2.333 10 0 FEAELO CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176493030 327459209 /nfs/dbraw/zinc/45/92/09/327459209.db2.gz MGCILDRRUSIAML-ZBFHGGJFSA-N 1 2 352.862 2.431 10 0 FEAELO O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177749874 327542321 /nfs/dbraw/zinc/54/23/21/327542321.db2.gz SIIPNJJFQVSHIB-RTBURBONSA-N 1 2 366.465 2.427 10 0 FEAELO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cn2)n1 ZINC000177794353 327545662 /nfs/dbraw/zinc/54/56/62/327545662.db2.gz UYLUTDSBOLOVOZ-QGZVFWFLSA-N 1 2 350.426 2.385 10 0 FEAELO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000246869971 328651988 /nfs/dbraw/zinc/65/19/88/328651988.db2.gz DYVAOMQVNMPTFD-ULQDDVLXSA-N 1 2 371.485 2.342 10 0 FEAELO CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262729558 328884527 /nfs/dbraw/zinc/88/45/27/328884527.db2.gz BJBMZNDCABZSDB-LBPRGKRZSA-N 1 2 363.202 2.284 10 0 FEAELO Cc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)n2)cc1F ZINC000262968938 328904486 /nfs/dbraw/zinc/90/44/86/328904486.db2.gz LOXYRXSWDLKIPB-SKDRFNHKSA-N 1 2 354.332 2.359 10 0 FEAELO Cc1nc(CN2CCC[N@H+](Cc3ccc(Br)cn3)CC2)no1 ZINC000171960685 546231700 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CC[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)Oc1ccccc1Cl ZINC000175734218 546341137 /nfs/dbraw/zinc/34/11/37/546341137.db2.gz NKYSNDVOYMSGHG-UONOGXRCSA-N 1 2 355.866 2.127 10 0 FEAELO CC[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Oc1ccccc1Cl ZINC000175734218 546341141 /nfs/dbraw/zinc/34/11/41/546341141.db2.gz NKYSNDVOYMSGHG-UONOGXRCSA-N 1 2 355.866 2.127 10 0 FEAELO CCOc1cccnc1C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000176318225 546431698 /nfs/dbraw/zinc/43/16/98/546431698.db2.gz NPFJUJRRZUADEQ-UHFFFAOYSA-N 1 2 357.458 2.045 10 0 FEAELO CCOc1cccnc1C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000176318225 546431700 /nfs/dbraw/zinc/43/17/00/546431700.db2.gz NPFJUJRRZUADEQ-UHFFFAOYSA-N 1 2 357.458 2.045 10 0 FEAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cccc(C(N)=O)c2)c2cccs2)CCO1 ZINC000176579117 546464478 /nfs/dbraw/zinc/46/44/78/546464478.db2.gz XCYSVXORRXEVPH-BBRMVZONSA-N 1 2 373.478 2.039 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cccc(C(N)=O)c2)c2cccs2)CCO1 ZINC000176579117 546464480 /nfs/dbraw/zinc/46/44/80/546464480.db2.gz XCYSVXORRXEVPH-BBRMVZONSA-N 1 2 373.478 2.039 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ncccc2OC(C)C)nc[nH+]1 ZINC000177349627 546598775 /nfs/dbraw/zinc/59/87/75/546598775.db2.gz XQHICNWGAXHYOZ-CQSZACIVSA-N 1 2 370.457 2.099 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ncccc2OC(C)C)[nH+]cn1 ZINC000177349627 546598780 /nfs/dbraw/zinc/59/87/80/546598780.db2.gz XQHICNWGAXHYOZ-CQSZACIVSA-N 1 2 370.457 2.099 10 0 FEAELO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177782291 546685632 /nfs/dbraw/zinc/68/56/32/546685632.db2.gz ZFARDJFLFKAAFL-IAGOWNOFSA-N 1 2 352.438 2.465 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)c1cccs1 ZINC000178409920 546788832 /nfs/dbraw/zinc/78/88/32/546788832.db2.gz UODZGGKNPJORTL-CYBMUJFWSA-N 1 2 374.466 2.104 10 0 FEAELO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000180063091 547046558 /nfs/dbraw/zinc/04/65/58/547046558.db2.gz LWTNYRBCZFTMPN-JKSUJKDBSA-N 1 2 373.280 2.350 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccccc3)CCO2)c1 ZINC000180130218 547056899 /nfs/dbraw/zinc/05/68/99/547056899.db2.gz OTIPHBXQSHWNKD-IBGZPJMESA-N 1 2 351.454 2.493 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccccc3)CCO2)c1 ZINC000180130218 547056902 /nfs/dbraw/zinc/05/69/02/547056902.db2.gz OTIPHBXQSHWNKD-IBGZPJMESA-N 1 2 351.454 2.493 10 0 FEAELO Cc1cccc(C(C)C)c1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000180248625 547073515 /nfs/dbraw/zinc/07/35/15/547073515.db2.gz YFDIGVGDRWOUHB-FUHWJXTLSA-N 1 2 373.497 2.236 10 0 FEAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2ccc(O)cc2O)c2cccs2)CCO1 ZINC000182556461 547513449 /nfs/dbraw/zinc/51/34/49/547513449.db2.gz OYGCESQGEZVOGV-WFASDCNBSA-N 1 2 362.451 2.351 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cn(Cc3cccnc3)nn1)C2 ZINC000183061769 547595054 /nfs/dbraw/zinc/59/50/54/547595054.db2.gz KLRDFQOCYVFRQI-UHFFFAOYSA-N 1 2 351.458 2.137 10 0 FEAELO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C1 ZINC000183657240 547696739 /nfs/dbraw/zinc/69/67/39/547696739.db2.gz YIYJESORHXDYDB-OCCSQVGLSA-N 1 2 374.407 2.312 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)Nc2ccccc2C[S@](C)=O)C[C@@H]1C ZINC000184332076 547809538 /nfs/dbraw/zinc/80/95/38/547809538.db2.gz CTRVLDFZWVPSEW-MQNRADLISA-N 1 2 367.515 2.140 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2C[S@](C)=O)C[C@@H]1C ZINC000184332076 547809542 /nfs/dbraw/zinc/80/95/42/547809542.db2.gz CTRVLDFZWVPSEW-MQNRADLISA-N 1 2 367.515 2.140 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000184411465 547822860 /nfs/dbraw/zinc/82/28/60/547822860.db2.gz CQGSUMBBZLQJGJ-IRXDYDNUSA-N 1 2 369.456 2.185 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000184411465 547822863 /nfs/dbraw/zinc/82/28/63/547822863.db2.gz CQGSUMBBZLQJGJ-IRXDYDNUSA-N 1 2 369.456 2.185 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000184455010 547830550 /nfs/dbraw/zinc/83/05/50/547830550.db2.gz WXNCRQBDLQTLBX-HZPDHXFCSA-N 1 2 350.459 2.080 10 0 FEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000184455010 547830554 /nfs/dbraw/zinc/83/05/54/547830554.db2.gz WXNCRQBDLQTLBX-HZPDHXFCSA-N 1 2 350.459 2.080 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)CCc3cccc4c3OCO4)CC2)s1 ZINC000184472761 547832881 /nfs/dbraw/zinc/83/28/81/547832881.db2.gz OGLGWNYZCDEGOC-UHFFFAOYSA-N 1 2 373.478 2.457 10 0 FEAELO C/C=C/C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000185505186 547993859 /nfs/dbraw/zinc/99/38/59/547993859.db2.gz DQQYLOFSZQOXFR-ZZFUDSBHSA-N 1 2 367.515 2.136 10 0 FEAELO C/C=C/C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000185505186 547993861 /nfs/dbraw/zinc/99/38/61/547993861.db2.gz DQQYLOFSZQOXFR-ZZFUDSBHSA-N 1 2 367.515 2.136 10 0 FEAELO CC(C)[C@]1(C)C[C@H]1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000186083310 548081895 /nfs/dbraw/zinc/08/18/95/548081895.db2.gz JMJLVEAHSOXEKO-CUWPLCDZSA-N 1 2 360.498 2.253 10 0 FEAELO CC(C)NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186088410 548082981 /nfs/dbraw/zinc/08/29/81/548082981.db2.gz PIHKNDXRILQFKP-MRXNPFEDSA-N 1 2 363.259 2.443 10 0 FEAELO CCO[C@@H]1C[C@@H]([NH2+]Cc2nnc(COc3ccccc3)[nH]2)C12CCOCC2 ZINC000186424753 548132985 /nfs/dbraw/zinc/13/29/85/548132985.db2.gz YTLPRNFRTDIOQD-IAGOWNOFSA-N 1 2 372.469 2.448 10 0 FEAELO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194606995 548503964 /nfs/dbraw/zinc/50/39/64/548503964.db2.gz ZVDBXCJWAUWDJP-DGCLKSJQSA-N 1 2 373.316 2.377 10 0 FEAELO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194606995 548503967 /nfs/dbraw/zinc/50/39/67/548503967.db2.gz ZVDBXCJWAUWDJP-DGCLKSJQSA-N 1 2 373.316 2.377 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000194618288 548505570 /nfs/dbraw/zinc/50/55/70/548505570.db2.gz FQIUAKLXEJXYMX-CYBMUJFWSA-N 1 2 363.845 2.374 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)CCc2ncc(-c3ccccc3Cl)o2)C1 ZINC000194618288 548505574 /nfs/dbraw/zinc/50/55/74/548505574.db2.gz FQIUAKLXEJXYMX-CYBMUJFWSA-N 1 2 363.845 2.374 10 0 FEAELO CCOc1ccc(Nc2ncccc2C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000194724298 548520473 /nfs/dbraw/zinc/52/04/73/548520473.db2.gz WGOIAJOBEIDXQT-KRWDZBQOSA-N 1 2 370.453 2.284 10 0 FEAELO CCOc1ccc(Nc2ncccc2C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000194724298 548520474 /nfs/dbraw/zinc/52/04/74/548520474.db2.gz WGOIAJOBEIDXQT-KRWDZBQOSA-N 1 2 370.453 2.284 10 0 FEAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000195506296 548651464 /nfs/dbraw/zinc/65/14/64/548651464.db2.gz DKYBBBDOUQDONK-UHFFFAOYSA-N 1 2 371.460 2.077 10 0 FEAELO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)cc1OC ZINC000195505533 548652528 /nfs/dbraw/zinc/65/25/28/548652528.db2.gz WZTNPSNYSPLVFS-AWEZNQCLSA-N 1 2 372.469 2.311 10 0 FEAELO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc3ccccc3n2)C[C@H]2CCCO2)C1 ZINC000245560600 548946991 /nfs/dbraw/zinc/94/69/91/548946991.db2.gz WSFTZDDYMCPMJQ-ZWKOTPCHSA-N 1 2 360.479 2.403 10 0 FEAELO O=S1(=O)CC[C@H]([N@H+](Cc2ccc3ccccc3n2)C[C@H]2CCCO2)C1 ZINC000245560600 548946994 /nfs/dbraw/zinc/94/69/94/548946994.db2.gz WSFTZDDYMCPMJQ-ZWKOTPCHSA-N 1 2 360.479 2.403 10 0 FEAELO COc1cc2c(c(C[N@@H+]3CCO[C@H](Cn4cc(C)cn4)C3)c1)O[C@@H](C)C2 ZINC000245705207 548979787 /nfs/dbraw/zinc/97/97/87/548979787.db2.gz DYVPOCFGITXITF-KXBFYZLASA-N 1 2 357.454 2.425 10 0 FEAELO COc1cc2c(c(C[N@H+]3CCO[C@H](Cn4cc(C)cn4)C3)c1)O[C@@H](C)C2 ZINC000245705207 548979791 /nfs/dbraw/zinc/97/97/91/548979791.db2.gz DYVPOCFGITXITF-KXBFYZLASA-N 1 2 357.454 2.425 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H](C)OC[C@H]3CCCO3)CC2)cs1 ZINC000245793702 548996277 /nfs/dbraw/zinc/99/62/77/548996277.db2.gz DDGZKXQWXZUJJY-RHSMWYFYSA-N 1 2 367.515 2.070 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H](C)OC[C@H]3CCCO3)CC2)cs1 ZINC000245793702 548996280 /nfs/dbraw/zinc/99/62/80/548996280.db2.gz DDGZKXQWXZUJJY-RHSMWYFYSA-N 1 2 367.515 2.070 10 0 FEAELO CC(C)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000246380066 549119549 /nfs/dbraw/zinc/11/95/49/549119549.db2.gz BCLKPNCBSWVIRK-MAUKXSAKSA-N 1 2 352.500 2.151 10 0 FEAELO CCOCCN(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246532069 549155025 /nfs/dbraw/zinc/15/50/25/549155025.db2.gz VKVQGWKGKPXKCG-GJZGRUSLSA-N 1 2 355.504 2.188 10 0 FEAELO CCOCCN(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246532069 549155028 /nfs/dbraw/zinc/15/50/28/549155028.db2.gz VKVQGWKGKPXKCG-GJZGRUSLSA-N 1 2 355.504 2.188 10 0 FEAELO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246585438 549167177 /nfs/dbraw/zinc/16/71/77/549167177.db2.gz SSVADYQUVCEDAC-GXTWGEPZSA-N 1 2 374.275 2.461 10 0 FEAELO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246585438 549167194 /nfs/dbraw/zinc/16/71/94/549167194.db2.gz SSVADYQUVCEDAC-GXTWGEPZSA-N 1 2 374.275 2.461 10 0 FEAELO CCOCCN1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C ZINC000246910985 549241071 /nfs/dbraw/zinc/24/10/71/549241071.db2.gz AEOTYEVMVVQQOW-MOPGFXCFSA-N 1 2 361.530 2.385 10 0 FEAELO CCOCCN1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C[C@H]1C ZINC000246910985 549241072 /nfs/dbraw/zinc/24/10/72/549241072.db2.gz AEOTYEVMVVQQOW-MOPGFXCFSA-N 1 2 361.530 2.385 10 0 FEAELO O=C1[C@H](N2CC[C@@H]([NH+]3CCOCC3)C2)CCCN1c1ccccc1Cl ZINC000246930324 549245533 /nfs/dbraw/zinc/24/55/33/549245533.db2.gz JJZWVJFEJXXQSF-CRAIPNDOSA-N 1 2 363.889 2.242 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000247268215 549308281 /nfs/dbraw/zinc/30/82/81/549308281.db2.gz RORBGTDVHHJYAQ-XBFCOCLRSA-N 1 2 358.360 2.136 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000247268215 549308283 /nfs/dbraw/zinc/30/82/83/549308283.db2.gz RORBGTDVHHJYAQ-XBFCOCLRSA-N 1 2 358.360 2.136 10 0 FEAELO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000248627048 549470037 /nfs/dbraw/zinc/47/00/37/549470037.db2.gz DWWPOEMDJGBAMN-PBHICJAKSA-N 1 2 362.470 2.136 10 0 FEAELO CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000248627048 549470039 /nfs/dbraw/zinc/47/00/39/549470039.db2.gz DWWPOEMDJGBAMN-PBHICJAKSA-N 1 2 362.470 2.136 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000248622222 549470146 /nfs/dbraw/zinc/47/01/46/549470146.db2.gz LXLFXSHQTUNTTJ-WOJBJXKFSA-N 1 2 369.465 2.017 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)C1 ZINC000248622222 549470149 /nfs/dbraw/zinc/47/01/49/549470149.db2.gz LXLFXSHQTUNTTJ-WOJBJXKFSA-N 1 2 369.465 2.017 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCCc3cccnc32)nc[nH+]1 ZINC000248840398 549511717 /nfs/dbraw/zinc/51/17/17/549511717.db2.gz QJCLBBLQGYKNDX-HOTGVXAUSA-N 1 2 366.469 2.118 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCCc3cccnc32)[nH+]cn1 ZINC000248840398 549511719 /nfs/dbraw/zinc/51/17/19/549511719.db2.gz QJCLBBLQGYKNDX-HOTGVXAUSA-N 1 2 366.469 2.118 10 0 FEAELO CCOCC[N@@H+]1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC000249404039 549588125 /nfs/dbraw/zinc/58/81/25/549588125.db2.gz VXAGWVZIVKXCOU-CVEARBPZSA-N 1 2 354.516 2.194 10 0 FEAELO CCOCC[N@H+]1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC000249404039 549588131 /nfs/dbraw/zinc/58/81/31/549588131.db2.gz VXAGWVZIVKXCOU-CVEARBPZSA-N 1 2 354.516 2.194 10 0 FEAELO COCc1ccccc1CNC(=O)C[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000249738409 549622149 /nfs/dbraw/zinc/62/21/49/549622149.db2.gz WZPAALWDJJGFEL-SNRMKQJTSA-N 1 2 374.481 2.255 10 0 FEAELO COCc1ccccc1CNC(=O)C[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000249738409 549622151 /nfs/dbraw/zinc/62/21/51/549622151.db2.gz WZPAALWDJJGFEL-SNRMKQJTSA-N 1 2 374.481 2.255 10 0 FEAELO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000249769215 549626653 /nfs/dbraw/zinc/62/66/53/549626653.db2.gz RRPVLWPLRDXMAA-LBPRGKRZSA-N 1 2 364.389 2.444 10 0 FEAELO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000249769215 549626658 /nfs/dbraw/zinc/62/66/58/549626658.db2.gz RRPVLWPLRDXMAA-LBPRGKRZSA-N 1 2 364.389 2.444 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000252465277 549666258 /nfs/dbraw/zinc/66/62/58/549666258.db2.gz PTZXYNWDOFHCLJ-PXMRGAAZSA-N 1 2 350.409 2.247 10 0 FEAELO COC(=O)c1ccc2c(c1)nc(C[N@@H+]1CC[C@@]3(O)CCCC[C@H]3C1)[nH]c2=O ZINC000253553833 549694970 /nfs/dbraw/zinc/69/49/70/549694970.db2.gz ICIXRGVJCAHUTI-XOBRGWDASA-N 1 2 371.437 2.249 10 0 FEAELO COC(=O)c1ccc2c(c1)nc(C[N@H+]1CC[C@@]3(O)CCCC[C@H]3C1)[nH]c2=O ZINC000253553833 549694972 /nfs/dbraw/zinc/69/49/72/549694972.db2.gz ICIXRGVJCAHUTI-XOBRGWDASA-N 1 2 371.437 2.249 10 0 FEAELO CC(C)[C@@H]1c2[nH+]ccn2CCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000257194337 549715448 /nfs/dbraw/zinc/71/54/48/549715448.db2.gz TWJWOXQGWYJJSL-MRXNPFEDSA-N 1 2 351.410 2.363 10 0 FEAELO CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)c2ccc(Cl)cc21 ZINC000263272158 549890968 /nfs/dbraw/zinc/89/09/68/549890968.db2.gz SHEXZVIONIUHFA-ZWNOBZJWSA-N 1 2 371.815 2.246 10 0 FEAELO CCOc1cc(C)nc(N2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)n1 ZINC000302048116 553700460 /nfs/dbraw/zinc/70/04/60/553700460.db2.gz MCHNELACPRVYTK-UHFFFAOYSA-N 1 2 368.485 2.488 10 0 FEAELO CN(C)c1cc(CNc2ncnc3ccc(S(C)(=O)=O)cc32)cc[nH+]1 ZINC000302692474 553726158 /nfs/dbraw/zinc/72/61/58/553726158.db2.gz SBVDYUBVHLBKFW-UHFFFAOYSA-N 1 2 357.439 2.106 10 0 FEAELO Cc1noc(CCC(=O)N2CCC[C@H](Nc3ccc(N(C)C)[nH+]c3)CC2)n1 ZINC000328628013 553798874 /nfs/dbraw/zinc/79/88/74/553798874.db2.gz GUACIEWJBRQTAW-HNNXBMFYSA-N 1 2 372.473 2.265 10 0 FEAELO CC1(C)C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCn4cc[nH+]c4C3)cc21 ZINC000328633941 553800176 /nfs/dbraw/zinc/80/01/76/553800176.db2.gz SXEMQYWHEXNBIL-LBPRGKRZSA-N 1 2 374.466 2.303 10 0 FEAELO C[C@H]1[C@H](O)CCC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000384788079 558605807 /nfs/dbraw/zinc/60/58/07/558605807.db2.gz VDDWDPUNIGWTMH-SMDDNHRTSA-N 1 2 362.289 2.068 10 0 FEAELO C[C@H]1[C@H](O)CCC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000384788079 558605808 /nfs/dbraw/zinc/60/58/08/558605808.db2.gz VDDWDPUNIGWTMH-SMDDNHRTSA-N 1 2 362.289 2.068 10 0 FEAELO CC(C)(C)OC(=O)Nc1ncccc1[C@@H](O)[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000536956817 562583223 /nfs/dbraw/zinc/58/32/23/562583223.db2.gz AJOZBKZKANWTMR-VXGBXAGGSA-N 1 2 353.419 2.131 10 0 FEAELO O[C@@]12CCCC[C@H]1C[N@H+](Cn1nc(N3CCOCC3)sc1=S)CC2 ZINC000164948425 672315236 /nfs/dbraw/zinc/31/52/36/672315236.db2.gz UWBJJVWEXYQBPE-XJKSGUPXSA-N 1 2 370.544 2.095 10 0 FEAELO O[C@@]12CCCC[C@H]1C[N@@H+](Cn1nc(N3CCOCC3)sc1=S)CC2 ZINC000164948425 672315237 /nfs/dbraw/zinc/31/52/37/672315237.db2.gz UWBJJVWEXYQBPE-XJKSGUPXSA-N 1 2 370.544 2.095 10 0 FEAELO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179538855 672402820 /nfs/dbraw/zinc/40/28/20/672402820.db2.gz BNJQCBSSRPYWMM-MRVPVSSYSA-N 1 2 351.205 2.462 10 0 FEAELO COc1ccc([C@@H](C)[NH2+]Cc2nn3c(nc(C)cc3=O)s2)cc1OC ZINC000180880440 672419340 /nfs/dbraw/zinc/41/93/40/672419340.db2.gz ANDJNOISGNBXKR-LLVKDONJSA-N 1 2 360.439 2.327 10 0 FEAELO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191838298 672675932 /nfs/dbraw/zinc/67/59/32/672675932.db2.gz UPQNUPLISOLPMW-SOUVJXGZSA-N 1 2 350.463 2.423 10 0 FEAELO Cc1noc(C[N@@H+]2C[C@@H](C(=O)N3CCC=C(C)C3)[C@H](C(F)(F)F)C2)n1 ZINC000888103366 688546239 /nfs/dbraw/zinc/54/62/39/688546239.db2.gz WHRFLLWBZZDCHS-CHWSQXEVSA-N 1 2 358.364 2.167 10 0 FEAELO Cc1noc(C[N@H+]2C[C@@H](C(=O)N3CCC=C(C)C3)[C@H](C(F)(F)F)C2)n1 ZINC000888103366 688546243 /nfs/dbraw/zinc/54/62/43/688546243.db2.gz WHRFLLWBZZDCHS-CHWSQXEVSA-N 1 2 358.364 2.167 10 0 FEAELO CN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000015255917 539614103 /nfs/dbraw/zinc/61/41/03/539614103.db2.gz HUBNDGNMJYUISX-UHFFFAOYSA-N 1 2 367.449 2.196 10 0 FEAELO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C(C)C)cc1 ZINC000029154881 539844878 /nfs/dbraw/zinc/84/48/78/539844878.db2.gz CCAKLRTVXLPKQG-IEBWSBKVSA-N 1 2 361.486 2.061 10 0 FEAELO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)C(C)C)cc1 ZINC000029154881 539844880 /nfs/dbraw/zinc/84/48/80/539844880.db2.gz CCAKLRTVXLPKQG-IEBWSBKVSA-N 1 2 361.486 2.061 10 0 FEAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000066835452 541377661 /nfs/dbraw/zinc/37/76/61/541377661.db2.gz XTYJVVIMICSEIJ-GFCCVEGCSA-N 1 2 354.834 2.481 10 0 FEAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000066835452 541377662 /nfs/dbraw/zinc/37/76/62/541377662.db2.gz XTYJVVIMICSEIJ-GFCCVEGCSA-N 1 2 354.834 2.481 10 0 FEAELO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000072058374 541782052 /nfs/dbraw/zinc/78/20/52/541782052.db2.gz NBAARGPFIZTWJR-OAHLLOKOSA-N 1 2 362.455 2.219 10 0 FEAELO Cc1cccn2c(CC(=O)N[C@@H]3CC(=O)N(CC4CCCCC4)C3)c[nH+]c12 ZINC000072156591 541791588 /nfs/dbraw/zinc/79/15/88/541791588.db2.gz GQKJJCRJMSCSKS-QGZVFWFLSA-N 1 2 368.481 2.483 10 0 FEAELO CC(=O)NC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000074875627 542132662 /nfs/dbraw/zinc/13/26/62/542132662.db2.gz TUNISGGEIUGMIM-DOTOQJQBSA-N 1 2 369.469 2.491 10 0 FEAELO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000077344037 542370583 /nfs/dbraw/zinc/37/05/83/542370583.db2.gz WKOCINRLHDWJSU-ZQIUZPCESA-N 1 2 369.893 2.436 10 0 FEAELO O=S(=O)(CC[C@H]1CCCC[NH2+]1)Nc1ncc(Br)s1 ZINC000049644016 221025636 /nfs/dbraw/zinc/02/56/36/221025636.db2.gz HVCZJKDVCSZHNC-MRVPVSSYSA-N 1 2 354.295 2.180 10 0 FEAELO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C)nn3)CC2)sc1C ZINC000106072239 543190101 /nfs/dbraw/zinc/19/01/01/543190101.db2.gz ZAXSJHGCIVXAES-AWEZNQCLSA-N 1 2 374.514 2.398 10 0 FEAELO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C)nn3)CC2)sc1C ZINC000106072239 543190105 /nfs/dbraw/zinc/19/01/05/543190105.db2.gz ZAXSJHGCIVXAES-AWEZNQCLSA-N 1 2 374.514 2.398 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000106078855 543191601 /nfs/dbraw/zinc/19/16/01/543191601.db2.gz ODFFVENWROQYIO-INIZCTEOSA-N 1 2 367.453 2.219 10 0 FEAELO CC(=O)c1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000106078855 543191602 /nfs/dbraw/zinc/19/16/02/543191602.db2.gz ODFFVENWROQYIO-INIZCTEOSA-N 1 2 367.453 2.219 10 0 FEAELO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084191 543193147 /nfs/dbraw/zinc/19/31/47/543193147.db2.gz YLUYPHLOAPDODG-HNNXBMFYSA-N 1 2 371.489 2.182 10 0 FEAELO Cc1ncc(CN2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)s1 ZINC000106089832 543193983 /nfs/dbraw/zinc/19/39/83/543193983.db2.gz AOCBXTUVMLTGLP-QGZVFWFLSA-N 1 2 361.511 2.317 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3C)CC2)s1 ZINC000106089832 543193985 /nfs/dbraw/zinc/19/39/85/543193985.db2.gz AOCBXTUVMLTGLP-QGZVFWFLSA-N 1 2 361.511 2.317 10 0 FEAELO Cc1ncc(CN2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)s1 ZINC000106090417 543194591 /nfs/dbraw/zinc/19/45/91/543194591.db2.gz NXDJBHGCPLBUCZ-INIZCTEOSA-N 1 2 365.474 2.148 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C[C@H](O)COc3ccc(F)cc3)CC2)s1 ZINC000106090417 543194592 /nfs/dbraw/zinc/19/45/92/543194592.db2.gz NXDJBHGCPLBUCZ-INIZCTEOSA-N 1 2 365.474 2.148 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CCc3nc4ccccc4c(=O)[nH]3)CC2)s1 ZINC000106089872 543194939 /nfs/dbraw/zinc/19/49/39/543194939.db2.gz ZSKCQAHVAVYOLU-UHFFFAOYSA-N 1 2 369.494 2.048 10 0 FEAELO Cc1ncc(CN2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)s1 ZINC000106089872 543194942 /nfs/dbraw/zinc/19/49/42/543194942.db2.gz ZSKCQAHVAVYOLU-UHFFFAOYSA-N 1 2 369.494 2.048 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC2)n1 ZINC000106137071 543207332 /nfs/dbraw/zinc/20/73/32/543207332.db2.gz GWEBRSNFSDLJKY-HZPDHXFCSA-N 1 2 365.522 2.204 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000106142258 543208055 /nfs/dbraw/zinc/20/80/55/543208055.db2.gz ICMPBBNBCSLBGT-UHFFFAOYSA-N 1 2 373.476 2.322 10 0 FEAELO CCOc1ccnc(N2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C)CC2)n1 ZINC000106153204 543209326 /nfs/dbraw/zinc/20/93/26/543209326.db2.gz ITOXWDNCBCKHNS-MRXNPFEDSA-N 1 2 369.469 2.333 10 0 FEAELO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000106157535 543210631 /nfs/dbraw/zinc/21/06/31/543210631.db2.gz AZDONYWTAIEIOT-MJGOQNOKSA-N 1 2 361.534 2.107 10 0 FEAELO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000106157535 543210632 /nfs/dbraw/zinc/21/06/32/543210632.db2.gz AZDONYWTAIEIOT-MJGOQNOKSA-N 1 2 361.534 2.107 10 0 FEAELO CSc1cccc(NC(=O)C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106158104 543210684 /nfs/dbraw/zinc/21/06/84/543210684.db2.gz ISTRHSUGLXDRPA-UHFFFAOYSA-N 1 2 373.526 2.288 10 0 FEAELO CSc1cccc(NC(=O)C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000106158104 543210685 /nfs/dbraw/zinc/21/06/85/543210685.db2.gz ISTRHSUGLXDRPA-UHFFFAOYSA-N 1 2 373.526 2.288 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1C ZINC000106174594 543213026 /nfs/dbraw/zinc/21/30/26/543213026.db2.gz AXOYNLHETWALSX-HOCLYGCPSA-N 1 2 357.458 2.409 10 0 FEAELO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](Cn3cncn3)C2)c1C ZINC000106174594 543213029 /nfs/dbraw/zinc/21/30/29/543213029.db2.gz AXOYNLHETWALSX-HOCLYGCPSA-N 1 2 357.458 2.409 10 0 FEAELO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190646 543215310 /nfs/dbraw/zinc/21/53/10/543215310.db2.gz ZEWFYEQMDIWUIT-HOTGVXAUSA-N 1 2 365.437 2.159 10 0 FEAELO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190646 543215313 /nfs/dbraw/zinc/21/53/13/543215313.db2.gz ZEWFYEQMDIWUIT-HOTGVXAUSA-N 1 2 365.437 2.159 10 0 FEAELO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000106224756 543219964 /nfs/dbraw/zinc/21/99/64/543219964.db2.gz SOGZMUBGXWTPAH-HNNXBMFYSA-N 1 2 358.442 2.484 10 0 FEAELO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000106224756 543219965 /nfs/dbraw/zinc/21/99/65/543219965.db2.gz SOGZMUBGXWTPAH-HNNXBMFYSA-N 1 2 358.442 2.484 10 0 FEAELO COCc1ccc(CNC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106373959 543226783 /nfs/dbraw/zinc/22/67/83/543226783.db2.gz FNXYYWMBNWEPSP-UHFFFAOYSA-N 1 2 370.497 2.364 10 0 FEAELO Cc1ccc(-n2nc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)c3c2CCCC3)cc1 ZINC000108263578 543284818 /nfs/dbraw/zinc/28/48/18/543284818.db2.gz WHPOCPFWFGEKKN-QGZVFWFLSA-N 1 2 368.481 2.120 10 0 FEAELO Cc1ccc(-n2nc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)c3c2CCCC3)cc1 ZINC000108263578 543284820 /nfs/dbraw/zinc/28/48/20/543284820.db2.gz WHPOCPFWFGEKKN-QGZVFWFLSA-N 1 2 368.481 2.120 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cn1 ZINC000109661665 543333249 /nfs/dbraw/zinc/33/32/49/543333249.db2.gz HWIZRJIIUIVZHW-KRWDZBQOSA-N 1 2 356.470 2.405 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cn1 ZINC000109661665 543333251 /nfs/dbraw/zinc/33/32/51/543333251.db2.gz HWIZRJIIUIVZHW-KRWDZBQOSA-N 1 2 356.470 2.405 10 0 FEAELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCCN1C(=O)CNC1=O ZINC000111308536 543395402 /nfs/dbraw/zinc/39/54/02/543395402.db2.gz CQPNPAUELBXLIE-OAHLLOKOSA-N 1 2 365.861 2.434 10 0 FEAELO CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1CCCN1C(=O)CNC1=O ZINC000111308536 543395403 /nfs/dbraw/zinc/39/54/03/543395403.db2.gz CQPNPAUELBXLIE-OAHLLOKOSA-N 1 2 365.861 2.434 10 0 FEAELO CCc1cccc2c(CCNC(=O)NC[C@H](C)[NH+]3CCOCC3)c[nH]c21 ZINC000111452847 543402464 /nfs/dbraw/zinc/40/24/64/543402464.db2.gz MLHDXACIUICBIY-HNNXBMFYSA-N 1 2 358.486 2.293 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CN[C@@H](C(=O)OC)c2ccccc2F)nc[nH+]1 ZINC000247459939 549335979 /nfs/dbraw/zinc/33/59/79/549335979.db2.gz QJXGTNBBDFWRLY-FZKQIMNGSA-N 1 2 373.432 2.130 10 0 FEAELO CNC(=O)c1cccc(C[NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000113932533 543498994 /nfs/dbraw/zinc/49/89/94/543498994.db2.gz YMNCVGPRQUUENU-UHFFFAOYSA-N 1 2 369.513 2.316 10 0 FEAELO CNC(=O)c1cccc(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000113932533 543498995 /nfs/dbraw/zinc/49/89/95/543498995.db2.gz YMNCVGPRQUUENU-UHFFFAOYSA-N 1 2 369.513 2.316 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C[C@H]1C ZINC000117282612 543626353 /nfs/dbraw/zinc/62/63/53/543626353.db2.gz MUIRCFSKERMRET-CQSZACIVSA-N 1 2 360.483 2.388 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C[C@H]1C ZINC000117282612 543626356 /nfs/dbraw/zinc/62/63/56/543626356.db2.gz MUIRCFSKERMRET-CQSZACIVSA-N 1 2 360.483 2.388 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[N@@H+]1CCOC ZINC000117372588 543630282 /nfs/dbraw/zinc/63/02/82/543630282.db2.gz PLZQUZRUAWOBFD-ZDUSSCGKSA-N 1 2 364.870 2.210 10 0 FEAELO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CC[N@H+]1CCOC ZINC000117372588 543630287 /nfs/dbraw/zinc/63/02/87/543630287.db2.gz PLZQUZRUAWOBFD-ZDUSSCGKSA-N 1 2 364.870 2.210 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(C)C)C[C@H]1C ZINC000117522062 543635275 /nfs/dbraw/zinc/63/52/75/543635275.db2.gz OLCSRCQILFZPJO-MRXNPFEDSA-N 1 2 361.486 2.318 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2C(C)C)C[C@H]1C ZINC000117522062 543635277 /nfs/dbraw/zinc/63/52/77/543635277.db2.gz OLCSRCQILFZPJO-MRXNPFEDSA-N 1 2 361.486 2.318 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(CC(C)C)c2C)nc[nH+]1 ZINC000125312335 543874656 /nfs/dbraw/zinc/87/46/56/543874656.db2.gz ZEQNZHLOZKZGMS-HNNXBMFYSA-N 1 2 371.489 2.078 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(CC(C)C)c2C)[nH+]cn1 ZINC000125312335 543874659 /nfs/dbraw/zinc/87/46/59/543874659.db2.gz ZEQNZHLOZKZGMS-HNNXBMFYSA-N 1 2 371.489 2.078 10 0 FEAELO C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000126339964 543930752 /nfs/dbraw/zinc/93/07/52/543930752.db2.gz RZRIDOFYTPLTKE-RVKKMQEKSA-N 1 2 358.442 2.427 10 0 FEAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C1(O)CCCCC1 ZINC000129160805 544094372 /nfs/dbraw/zinc/09/43/72/544094372.db2.gz MSKQFKWRQRTYOC-OAHLLOKOSA-N 1 2 352.500 2.275 10 0 FEAELO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000129252570 544100518 /nfs/dbraw/zinc/10/05/18/544100518.db2.gz IKSUTXRIMQMFNP-OAHLLOKOSA-N 1 2 371.437 2.177 10 0 FEAELO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000130015581 544135702 /nfs/dbraw/zinc/13/57/02/544135702.db2.gz ZYLKGXVFTLUJRW-RYUDHWBXSA-N 1 2 351.497 2.224 10 0 FEAELO C[C@H](Sc1nc2ccccc2s1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000130015581 544135705 /nfs/dbraw/zinc/13/57/05/544135705.db2.gz ZYLKGXVFTLUJRW-RYUDHWBXSA-N 1 2 351.497 2.224 10 0 FEAELO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000130845132 544167421 /nfs/dbraw/zinc/16/74/21/544167421.db2.gz KFIXDTYOECPTMD-WFASDCNBSA-N 1 2 355.276 2.075 10 0 FEAELO C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000130845132 544167423 /nfs/dbraw/zinc/16/74/23/544167423.db2.gz KFIXDTYOECPTMD-WFASDCNBSA-N 1 2 355.276 2.075 10 0 FEAELO CCCC[C@H](COC)NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000133361677 544266477 /nfs/dbraw/zinc/26/64/77/544266477.db2.gz YTTAEWGBXGYEID-QGZVFWFLSA-N 1 2 365.522 2.069 10 0 FEAELO COc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152317012 544638614 /nfs/dbraw/zinc/63/86/14/544638614.db2.gz WSNURWHUDRZDHT-KRWDZBQOSA-N 1 2 362.451 2.017 10 0 FEAELO COc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000152317012 544638617 /nfs/dbraw/zinc/63/86/17/544638617.db2.gz WSNURWHUDRZDHT-KRWDZBQOSA-N 1 2 362.451 2.017 10 0 FEAELO CCCCCNC(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155166617 544997320 /nfs/dbraw/zinc/99/73/20/544997320.db2.gz MEWVNLPIKRPQRK-INIZCTEOSA-N 1 2 353.532 2.360 10 0 FEAELO CCCCCNC(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155166617 544997325 /nfs/dbraw/zinc/99/73/25/544997325.db2.gz MEWVNLPIKRPQRK-INIZCTEOSA-N 1 2 353.532 2.360 10 0 FEAELO COC(=O)C1CCC(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000179446217 327643571 /nfs/dbraw/zinc/64/35/71/327643571.db2.gz NGYINKVQYJNHSB-UHFFFAOYSA-N 1 2 374.481 2.189 10 0 FEAELO O=C(Nc1ccc(F)cc1OCC(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000181406893 327728993 /nfs/dbraw/zinc/72/89/93/327728993.db2.gz AJXMQCYPLNDPQI-ZDUSSCGKSA-N 1 2 373.375 2.408 10 0 FEAELO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000183670194 327829724 /nfs/dbraw/zinc/82/97/24/327829724.db2.gz MDPNGPWYLKOMNB-DNVCBOLYSA-N 1 2 369.469 2.365 10 0 FEAELO CCOc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc(Cl)c1O ZINC000186839405 327985667 /nfs/dbraw/zinc/98/56/67/327985667.db2.gz DCHJXVFXGVFMFH-IUODEOHRSA-N 1 2 368.861 2.237 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)OCc2ccccc2)nc[nH+]1 ZINC000187661753 328038186 /nfs/dbraw/zinc/03/81/86/328038186.db2.gz MPSXNHXPYASBOK-DOTOQJQBSA-N 1 2 369.469 2.209 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C)OCc2ccccc2)[nH+]cn1 ZINC000187661753 328038187 /nfs/dbraw/zinc/03/81/87/328038187.db2.gz MPSXNHXPYASBOK-DOTOQJQBSA-N 1 2 369.469 2.209 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2c(F)ccc(OC)c2OC)C[C@H]1C ZINC000188470151 328088785 /nfs/dbraw/zinc/08/87/85/328088785.db2.gz SNUVOGSEWLHWTE-CYBMUJFWSA-N 1 2 354.422 2.026 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2c(F)ccc(OC)c2OC)C[C@H]1C ZINC000188470151 328088786 /nfs/dbraw/zinc/08/87/86/328088786.db2.gz SNUVOGSEWLHWTE-CYBMUJFWSA-N 1 2 354.422 2.026 10 0 FEAELO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC(=O)c2cccn2C)CC1 ZINC000190352341 328202066 /nfs/dbraw/zinc/20/20/66/328202066.db2.gz XDBQXVLFELUPKO-UHFFFAOYSA-N 1 2 363.502 2.336 10 0 FEAELO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(CC(=O)c2cccn2C)CC1 ZINC000190352341 328202067 /nfs/dbraw/zinc/20/20/67/328202067.db2.gz XDBQXVLFELUPKO-UHFFFAOYSA-N 1 2 363.502 2.336 10 0 FEAELO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000190352341 328202069 /nfs/dbraw/zinc/20/20/69/328202069.db2.gz XDBQXVLFELUPKO-UHFFFAOYSA-N 1 2 363.502 2.336 10 0 FEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000190554921 328215856 /nfs/dbraw/zinc/21/58/56/328215856.db2.gz VYXKOQADTWAJOC-OAHLLOKOSA-N 1 2 359.478 2.302 10 0 FEAELO O=C(Nc1ccc(Cl)c(F)c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190751680 328230021 /nfs/dbraw/zinc/23/00/21/328230021.db2.gz QWRGGOADOKKVIB-GFCCVEGCSA-N 1 2 350.781 2.305 10 0 FEAELO CCn1cc([C@@H]2C[N@H+](CCC(=O)Nc3cccc(OC)c3)CCO2)cn1 ZINC000190795613 328232957 /nfs/dbraw/zinc/23/29/57/328232957.db2.gz OFOBKLFXWWBPKK-SFHVURJKSA-N 1 2 358.442 2.314 10 0 FEAELO CCn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc(OC)c3)CCO2)cn1 ZINC000190795613 328232958 /nfs/dbraw/zinc/23/29/58/328232958.db2.gz OFOBKLFXWWBPKK-SFHVURJKSA-N 1 2 358.442 2.314 10 0 FEAELO COc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000191916913 328288546 /nfs/dbraw/zinc/28/85/46/328288546.db2.gz WDOJBEFAQIUVAV-DOMZBBRYSA-N 1 2 370.396 2.089 10 0 FEAELO COc1ccc(Cl)c(C[NH+]2CCN(c3cc(C)nc4ncnn43)CC2)c1 ZINC000191997445 328292591 /nfs/dbraw/zinc/29/25/91/328292591.db2.gz XZYAQBBDOOGGHU-UHFFFAOYSA-N 1 2 372.860 2.417 10 0 FEAELO C[C@H]1CN(C(=O)c2cccc(Br)c2F)C[C@H]1[NH+]1CCOCC1 ZINC000192138912 328302078 /nfs/dbraw/zinc/30/20/78/328302078.db2.gz KQLUKJIHJAKRIF-SMDDNHRTSA-N 1 2 371.250 2.381 10 0 FEAELO C[C@@H]1CN(C(=O)c2cccc(Br)c2F)C[C@@H]1[NH+]1CCOCC1 ZINC000192138893 328301978 /nfs/dbraw/zinc/30/19/78/328301978.db2.gz KQLUKJIHJAKRIF-RISCZKNCSA-N 1 2 371.250 2.381 10 0 FEAELO O=C([C@H]1CCCc2cccnc21)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192529867 328324069 /nfs/dbraw/zinc/32/40/69/328324069.db2.gz NRRKILBQQKWRSP-PMACEKPBSA-N 1 2 365.477 2.379 10 0 FEAELO CC1(C)Cc2cccc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c2O1 ZINC000192595749 328327644 /nfs/dbraw/zinc/32/76/44/328327644.db2.gz GUOIUPKQNODGFC-UHFFFAOYSA-N 1 2 373.478 2.306 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C2 ZINC000194106800 328411379 /nfs/dbraw/zinc/41/13/79/328411379.db2.gz QKBFUODDIGNOPX-ZDUSSCGKSA-N 1 2 374.407 2.131 10 0 FEAELO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000195267483 328466564 /nfs/dbraw/zinc/46/65/64/328466564.db2.gz YBGSTKXKTSBRDL-CQSZACIVSA-N 1 2 366.469 2.445 10 0 FEAELO C[C@H](CNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[NH+]1CCOCC1 ZINC000046261817 324602634 /nfs/dbraw/zinc/60/26/34/324602634.db2.gz DLYYJAJQGKJZJG-CYBMUJFWSA-N 1 2 360.433 2.095 10 0 FEAELO CCc1nc(CN2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)no1 ZINC000081161176 325161705 /nfs/dbraw/zinc/16/17/05/325161705.db2.gz MVNSCNOCFVWVHQ-HOTGVXAUSA-N 1 2 371.485 2.016 10 0 FEAELO C[C@H](CNC(=O)C(=O)Nc1cccc(-c2cccs2)c1)[NH+]1CCOCC1 ZINC000102082430 325487103 /nfs/dbraw/zinc/48/71/03/325487103.db2.gz CDFPXBBASRGXFO-CQSZACIVSA-N 1 2 373.478 2.191 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000105523479 325568154 /nfs/dbraw/zinc/56/81/54/325568154.db2.gz MGYVNKOHWVNYSD-UHFFFAOYSA-N 1 2 363.483 2.404 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)n1 ZINC000106132292 325585218 /nfs/dbraw/zinc/58/52/18/325585218.db2.gz VSYCFYOKIQQSDY-NHYWBVRUSA-N 1 2 352.385 2.068 10 0 FEAELO c1nn(-c2ccccc2)cc1C[NH+]1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000106141206 325585602 /nfs/dbraw/zinc/58/56/02/325585602.db2.gz HVUGCHHXWZFQOY-UHFFFAOYSA-N 1 2 364.453 2.451 10 0 FEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCO[C@H](c2nccs2)C1 ZINC000111824278 325737464 /nfs/dbraw/zinc/73/74/64/325737464.db2.gz CQQBKKLUIINZJV-HNNXBMFYSA-N 1 2 373.482 2.290 10 0 FEAELO Cn1cc([C@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)cn1 ZINC000116424127 326013472 /nfs/dbraw/zinc/01/34/72/326013472.db2.gz CLALIGJIPCBAEX-INIZCTEOSA-N 1 2 350.426 2.305 10 0 FEAELO C[C@H](CNC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1)[NH+]1CCOCC1 ZINC000117958528 326075513 /nfs/dbraw/zinc/07/55/13/326075513.db2.gz AYYONOKCJAMCFL-APWZRJJASA-N 1 2 360.502 2.320 10 0 FEAELO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1nc(Cc3ccccc3)no1)CC2 ZINC000119227629 326139608 /nfs/dbraw/zinc/13/96/08/326139608.db2.gz WTEVVCWGETVQEW-DZGCQCFKSA-N 1 2 352.442 2.480 10 0 FEAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119306144 326147507 /nfs/dbraw/zinc/14/75/07/326147507.db2.gz VLWIJPWKBSBHNK-OXQOHEQNSA-N 1 2 374.485 2.386 10 0 FEAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccccc1Cc1ccccc1 ZINC000119463787 326165717 /nfs/dbraw/zinc/16/57/17/326165717.db2.gz HWGUYSDECYEWBD-LJQANCHMSA-N 1 2 369.465 2.092 10 0 FEAELO Cc1c(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cnn1CC(C)C ZINC000119637874 326183367 /nfs/dbraw/zinc/18/33/67/326183367.db2.gz LAFMRPPNPDUTRQ-HXUWFJFHSA-N 1 2 370.497 2.339 10 0 FEAELO COc1c(CN2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)c(C)nn1C ZINC000119918956 326212214 /nfs/dbraw/zinc/21/22/14/326212214.db2.gz CEDXWVWCPIPJBD-UHFFFAOYSA-N 1 2 362.449 2.203 10 0 FEAELO COc1c(C[NH+]2CCN(Cc3ccc(OC)c(F)c3)CC2)c(C)nn1C ZINC000119918956 326212216 /nfs/dbraw/zinc/21/22/16/326212216.db2.gz CEDXWVWCPIPJBD-UHFFFAOYSA-N 1 2 362.449 2.203 10 0 FEAELO O=C(Nc1cc(F)ccc1OC(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000121692999 326358525 /nfs/dbraw/zinc/35/85/25/326358525.db2.gz XOKPAMUXEJVESB-LBPRGKRZSA-N 1 2 359.348 2.366 10 0 FEAELO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000122656634 326404767 /nfs/dbraw/zinc/40/47/67/326404767.db2.gz VTYBQIHHASVEAJ-QMTHXVAHSA-N 1 2 358.269 2.368 10 0 FEAELO CCOCCC1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000122671846 326405359 /nfs/dbraw/zinc/40/53/59/326405359.db2.gz KGENVWKORBYXNA-QGZVFWFLSA-N 1 2 353.507 2.090 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)c1nnc(C2CC2)n1Cc1ccccc1 ZINC000125065278 326464815 /nfs/dbraw/zinc/46/48/15/326464815.db2.gz DRAXDMAVNVPLKR-UHFFFAOYSA-N 1 2 371.466 2.394 10 0 FEAELO CS[C@@H](C)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000129740484 326545748 /nfs/dbraw/zinc/54/57/48/326545748.db2.gz AKAGUKUSMQZOMW-KBPBESRZSA-N 1 2 357.545 2.481 10 0 FEAELO CC(C)c1nnc(NC(=O)CN2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000136956655 326656677 /nfs/dbraw/zinc/65/66/77/326656677.db2.gz SDMMUDBWIWSHOR-CYBMUJFWSA-N 1 2 360.487 2.429 10 0 FEAELO C[C@H](CNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000152075292 326698321 /nfs/dbraw/zinc/69/83/21/326698321.db2.gz ICAHEWUDRGJCIY-MRXNPFEDSA-N 1 2 367.449 2.389 10 0 FEAELO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000155088039 326777423 /nfs/dbraw/zinc/77/74/23/326777423.db2.gz KJJHZDIHTPWQQT-HNNXBMFYSA-N 1 2 350.463 2.379 10 0 FEAELO Cc1cnn(-c2ccc(C)cc2NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000158660043 326903044 /nfs/dbraw/zinc/90/30/44/326903044.db2.gz SJBSHCZOGXCEBE-QGZVFWFLSA-N 1 2 369.469 2.428 10 0 FEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000163245438 327047074 /nfs/dbraw/zinc/04/70/74/327047074.db2.gz GJRPWUDAOMSZPS-OXQOHEQNSA-N 1 2 358.486 2.387 10 0 FEAELO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000170938894 327108394 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549108465 /nfs/dbraw/zinc/10/84/65/549108465.db2.gz LETITTIGOHNEQO-GDBMZVCRSA-N 1 2 352.431 2.233 10 0 FEAELO O[C@@H](COCc1ccccc1F)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246339079 549108468 /nfs/dbraw/zinc/10/84/68/549108468.db2.gz LETITTIGOHNEQO-GDBMZVCRSA-N 1 2 352.431 2.233 10 0 FEAELO CCN(CC(C)(C)O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246512058 549149798 /nfs/dbraw/zinc/14/97/98/549149798.db2.gz SXZYXHPIPFAANF-GJZGRUSLSA-N 1 2 369.531 2.312 10 0 FEAELO CCN(CC(C)(C)O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246512058 549149801 /nfs/dbraw/zinc/14/98/01/549149801.db2.gz SXZYXHPIPFAANF-GJZGRUSLSA-N 1 2 369.531 2.312 10 0 FEAELO C[C@@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246563690 549162483 /nfs/dbraw/zinc/16/24/83/549162483.db2.gz UYHGWKXYORUTJY-CZUORRHYSA-N 1 2 371.403 2.296 10 0 FEAELO C[C@H](NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)[C@H]1CCCO1 ZINC000246836593 549224583 /nfs/dbraw/zinc/22/45/83/549224583.db2.gz 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CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(SC)cc2)C[C@H]1C ZINC000247268514 549308990 /nfs/dbraw/zinc/30/89/90/549308990.db2.gz ZFZLJRVHWWFZOR-CQSZACIVSA-N 1 2 358.529 2.140 10 0 FEAELO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(SC)cc2)C[C@H]1C ZINC000247268514 549308992 /nfs/dbraw/zinc/30/89/92/549308992.db2.gz ZFZLJRVHWWFZOR-CQSZACIVSA-N 1 2 358.529 2.140 10 0 FEAELO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nn1 ZINC000247592474 549363093 /nfs/dbraw/zinc/36/30/93/549363093.db2.gz JUMGSEMBWHZYMV-CQSZACIVSA-N 1 2 374.876 2.373 10 0 FEAELO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)nn1 ZINC000247592474 549363094 /nfs/dbraw/zinc/36/30/94/549363094.db2.gz JUMGSEMBWHZYMV-CQSZACIVSA-N 1 2 374.876 2.373 10 0 FEAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)c2cccs2)CCO1 ZINC000248329646 549419828 /nfs/dbraw/zinc/41/98/28/549419828.db2.gz DFSZUVVNJKGROG-OWCLPIDISA-N 1 2 367.515 2.330 10 0 FEAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)c2cccs2)CCO1 ZINC000248329646 549419833 /nfs/dbraw/zinc/41/98/33/549419833.db2.gz DFSZUVVNJKGROG-OWCLPIDISA-N 1 2 367.515 2.330 10 0 FEAELO C[C@H](O)C[C@H](C)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000248370402 549423132 /nfs/dbraw/zinc/42/31/32/549423132.db2.gz XLRSSBHIWKJMHQ-CAOSSQGBSA-N 1 2 369.531 2.216 10 0 FEAELO C[C@H](O)C[C@H](C)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000248370402 549423134 /nfs/dbraw/zinc/42/31/34/549423134.db2.gz XLRSSBHIWKJMHQ-CAOSSQGBSA-N 1 2 369.531 2.216 10 0 FEAELO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261699215 549744390 /nfs/dbraw/zinc/74/43/90/549744390.db2.gz IZMNYRJTMKXEFM-DLBZAZTESA-N 1 2 357.502 2.304 10 0 FEAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000263229792 549887505 /nfs/dbraw/zinc/88/75/05/549887505.db2.gz NFPLEEUZPAQBJP-PSASIEDQSA-N 1 2 352.307 2.132 10 0 FEAELO CC[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1noc(C)n1 ZINC000301475853 553654319 /nfs/dbraw/zinc/65/43/19/553654319.db2.gz NYMWSMVOLOVVAG-SSDOTTSWSA-N 1 2 352.196 2.380 10 0 FEAELO CCS[C@@H]1CC[C@@]1(O)CNc1[nH+]cnc2c1c(Br)nn2C ZINC000301492947 553655762 /nfs/dbraw/zinc/65/57/62/553655762.db2.gz PVPYVURJNFGJPF-AMIZOPFISA-N 1 2 372.292 2.184 10 0 FEAELO Cc1cc(=NC(=O)N2CCC[C@@H](Nc3ccc(N(C)C)[nH+]c3)CC2)[nH]n1C ZINC000328644629 553801461 /nfs/dbraw/zinc/80/14/61/553801461.db2.gz RXPJOJDKULPZJZ-OAHLLOKOSA-N 1 2 371.489 2.688 10 0 FEAELO Cc1c(Cl)c(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)nn1C ZINC000421875395 559555284 /nfs/dbraw/zinc/55/52/84/559555284.db2.gz PUYCQKUPHVHUPF-LBPRGKRZSA-N 1 2 363.849 2.136 10 0 FEAELO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2nnc(C3CC3)[nH]2)cs1 ZINC000583623146 570809691 /nfs/dbraw/zinc/80/96/91/570809691.db2.gz WAYFKOADZRQSED-ZFWWWQNUSA-N 1 2 364.494 2.491 10 0 FEAELO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2nnc(C3CC3)[nH]2)cs1 ZINC000583623146 570809694 /nfs/dbraw/zinc/80/96/94/570809694.db2.gz WAYFKOADZRQSED-ZFWWWQNUSA-N 1 2 364.494 2.491 10 0 FEAELO CC(C)(C)n1nc(Cc2cccs2)nc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000096180053 670760053 /nfs/dbraw/zinc/76/00/53/670760053.db2.gz WSZATQFSUGGYBK-CYBMUJFWSA-N 1 2 361.515 2.350 10 0 FEAELO CC(C)(C)n1nc(Cc2cccs2)nc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000096180053 670760062 /nfs/dbraw/zinc/76/00/62/670760062.db2.gz WSZATQFSUGGYBK-CYBMUJFWSA-N 1 2 361.515 2.350 10 0 FEAELO C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)n2)C[C@H]1[NH+]1CCOCC1 ZINC000124130571 671991383 /nfs/dbraw/zinc/99/13/83/671991383.db2.gz VEZQVOCJQCRVOL-NWDGAFQWSA-N 1 2 358.364 2.285 10 0 FEAELO CNC(=O)[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(C)C ZINC000182436471 672445036 /nfs/dbraw/zinc/44/50/36/672445036.db2.gz XZGFJHXXGUQGRH-CQSZACIVSA-N 1 2 356.257 2.434 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)c2nc(Br)cs2)C[C@@H]1C ZINC000188875808 672600536 /nfs/dbraw/zinc/60/05/36/672600536.db2.gz TYDBVKHWOFTWDL-JTQLQIEISA-N 1 2 362.293 2.088 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)c2nc(Br)cs2)C[C@@H]1C ZINC000188875808 672600539 /nfs/dbraw/zinc/60/05/39/672600539.db2.gz TYDBVKHWOFTWDL-JTQLQIEISA-N 1 2 362.293 2.088 10 0 FEAELO COCCn1nnnc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000007062846 539446327 /nfs/dbraw/zinc/44/63/27/539446327.db2.gz COCCOKYAONTAAN-UHFFFAOYSA-N 1 2 358.471 2.309 10 0 FEAELO O=C(Nc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263278690 178889645 /nfs/dbraw/zinc/88/96/45/178889645.db2.gz TWOUEZRQLWRYMY-AWEZNQCLSA-N 1 2 355.360 2.000 10 0 FEAELO O=C(c1[nH]ncc1Br)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000028234618 539828144 /nfs/dbraw/zinc/82/81/44/539828144.db2.gz PLVTXOMQUVGCHD-UHFFFAOYSA-N 1 2 367.222 2.269 10 0 FEAELO CC(C)[C@H](NC(=O)NC[C@H](C)[NH+]1CCOCC1)c1nc2ccccc2[nH]1 ZINC000043105440 540089524 /nfs/dbraw/zinc/08/95/24/540089524.db2.gz RQTLPDTWQREQCI-YOEHRIQHSA-N 1 2 359.474 2.280 10 0 FEAELO CCCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000052311680 540462789 /nfs/dbraw/zinc/46/27/89/540462789.db2.gz ORMXAOBPFNBYGC-GOSISDBHSA-N 1 2 361.486 2.034 10 0 FEAELO CCCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000052311680 540462790 /nfs/dbraw/zinc/46/27/90/540462790.db2.gz ORMXAOBPFNBYGC-GOSISDBHSA-N 1 2 361.486 2.034 10 0 FEAELO C[C@H](CNC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000054566204 540596206 /nfs/dbraw/zinc/59/62/06/540596206.db2.gz NTODFMKUNLDROC-MJGOQNOKSA-N 1 2 361.486 2.098 10 0 FEAELO C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3COc4ccccc43)c[nH+]2)CCO1 ZINC000058576658 540850641 /nfs/dbraw/zinc/85/06/41/540850641.db2.gz SCIFSIVISVNMOQ-PBHICJAKSA-N 1 2 368.437 2.240 10 0 FEAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000066156112 541284827 /nfs/dbraw/zinc/28/48/27/541284827.db2.gz MEAGTJHJRHCQIR-AWEZNQCLSA-N 1 2 372.868 2.413 10 0 FEAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC000066833796 541377189 /nfs/dbraw/zinc/37/71/89/541377189.db2.gz AVBLJTSAQIJDEU-CQSZACIVSA-N 1 2 374.416 2.143 10 0 FEAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 ZINC000066833796 541377191 /nfs/dbraw/zinc/37/71/91/541377191.db2.gz AVBLJTSAQIJDEU-CQSZACIVSA-N 1 2 374.416 2.143 10 0 FEAELO COc1ccc([C@H](O)C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000070459561 541734632 /nfs/dbraw/zinc/73/46/32/541734632.db2.gz NBOJZOQYCNQDIF-OAHLLOKOSA-N 1 2 366.458 2.290 10 0 FEAELO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000019147232 220236697 /nfs/dbraw/zinc/23/66/97/220236697.db2.gz IHQIRELAOPLLBB-OAHLLOKOSA-N 1 2 354.454 2.174 10 0 FEAELO Cc1ccc(C)c(C(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)c1 ZINC000224360117 132283335 /nfs/dbraw/zinc/28/33/35/132283335.db2.gz NALBPIBHZZLZQB-UHFFFAOYSA-N 1 2 355.442 2.248 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000103478571 543111001 /nfs/dbraw/zinc/11/10/01/543111001.db2.gz OGWZIODOEYJUIV-CQSZACIVSA-N 1 2 373.457 2.133 10 0 FEAELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000103478571 543111004 /nfs/dbraw/zinc/11/10/04/543111004.db2.gz OGWZIODOEYJUIV-CQSZACIVSA-N 1 2 373.457 2.133 10 0 FEAELO C[C@H](CNC(=O)N1CCn2cccc2[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000105124277 543161255 /nfs/dbraw/zinc/16/12/55/543161255.db2.gz POQZYONOJILATG-YLJYHZDGSA-N 1 2 368.481 2.323 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)c(F)c1 ZINC000106069711 543188178 /nfs/dbraw/zinc/18/81/78/543188178.db2.gz XGEAPOCGYCLDJB-OAHLLOKOSA-N 1 2 357.433 2.463 10 0 FEAELO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3cccnn3)CC2)c(F)c1 ZINC000106069711 543188180 /nfs/dbraw/zinc/18/81/80/543188180.db2.gz XGEAPOCGYCLDJB-OAHLLOKOSA-N 1 2 357.433 2.463 10 0 FEAELO COCCN1CC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000106109260 543200074 /nfs/dbraw/zinc/20/00/74/543200074.db2.gz WKDKGUPHABUNAI-ICSRJNTNSA-N 1 2 359.514 2.393 10 0 FEAELO COCCN1CC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000106109260 543200076 /nfs/dbraw/zinc/20/00/76/543200076.db2.gz WKDKGUPHABUNAI-ICSRJNTNSA-N 1 2 359.514 2.393 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000106079592 543191960 /nfs/dbraw/zinc/19/19/60/543191960.db2.gz VIZKPTGDYQZBBM-SFHVURJKSA-N 1 2 367.453 2.219 10 0 FEAELO CC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000106079592 543191963 /nfs/dbraw/zinc/19/19/63/543191963.db2.gz VIZKPTGDYQZBBM-SFHVURJKSA-N 1 2 367.453 2.219 10 0 FEAELO CN(c1cccnn1)C1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000106083282 543192154 /nfs/dbraw/zinc/19/21/54/543192154.db2.gz MISGYEVWNFZMAD-UHFFFAOYSA-N 1 2 363.469 2.373 10 0 FEAELO Cc1ncc(C[NH+]2CCN(CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)s1 ZINC000106090864 543194753 /nfs/dbraw/zinc/19/47/53/543194753.db2.gz RGFYAFBRZWPABD-GJZGRUSLSA-N 1 2 350.532 2.359 10 0 FEAELO Cc1ncc(CN2CC[NH+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)s1 ZINC000106090864 543194754 /nfs/dbraw/zinc/19/47/54/543194754.db2.gz RGFYAFBRZWPABD-GJZGRUSLSA-N 1 2 350.532 2.359 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+](Cc3cccc(C(=O)OC)c3)CC2)n1 ZINC000106139468 543206899 /nfs/dbraw/zinc/20/68/99/543206899.db2.gz WALCIFGLIFJGJY-AWEZNQCLSA-N 1 2 358.442 2.297 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CCO2)c1 ZINC000106198939 543216406 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CCn1cc(C[N@H+]2CCCN(C(=O)c3c(C)nsc3NC)CC2)cn1 ZINC000109660023 543332448 /nfs/dbraw/zinc/33/24/48/543332448.db2.gz IEVYIVXMROXSRU-UHFFFAOYSA-N 1 2 362.503 2.058 10 0 FEAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 ZINC000109665791 543333082 /nfs/dbraw/zinc/33/30/82/543333082.db2.gz GBHYTCUWVVSREN-UHFFFAOYSA-N 1 2 370.453 2.370 10 0 FEAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 ZINC000109665791 543333083 /nfs/dbraw/zinc/33/30/83/543333083.db2.gz GBHYTCUWVVSREN-UHFFFAOYSA-N 1 2 370.453 2.370 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cn1 ZINC000109662823 543333087 /nfs/dbraw/zinc/33/30/87/543333087.db2.gz ZWFMENSKTXYUHK-UHFFFAOYSA-N 1 2 372.517 2.282 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cn1 ZINC000109662823 543333088 /nfs/dbraw/zinc/33/30/88/543333088.db2.gz ZWFMENSKTXYUHK-UHFFFAOYSA-N 1 2 372.517 2.282 10 0 FEAELO C[C@H]1CCCN(c2cc(NCC(=O)NCCc3ccccc3)[nH+]cn2)C1 ZINC000110380222 543357006 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CCc1noc([C@H](C)N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)n1 ZINC000189189773 328134040 /nfs/dbraw/zinc/13/40/40/328134040.db2.gz PKBDDWMJNMQUKB-NSHDSACASA-N 1 2 368.375 2.228 10 0 FEAELO Cc1cnn(C[C@H]2C[N@H+](CCOCC(F)(F)C(F)(F)F)CCO2)c1 ZINC000189211295 328134898 /nfs/dbraw/zinc/13/48/98/328134898.db2.gz QBKRVXBPZAEYJV-GFCCVEGCSA-N 1 2 357.323 2.107 10 0 FEAELO Cc1cnn(C[C@H]2C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCO2)c1 ZINC000189211295 328134899 /nfs/dbraw/zinc/13/48/99/328134899.db2.gz QBKRVXBPZAEYJV-GFCCVEGCSA-N 1 2 357.323 2.107 10 0 FEAELO COCc1cccc(CC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000189617900 328158523 /nfs/dbraw/zinc/15/85/23/328158523.db2.gz TZKDMQBFJPCTMA-UHFFFAOYSA-N 1 2 370.497 2.070 10 0 FEAELO CCN1CCCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1=O ZINC000189813071 328169589 /nfs/dbraw/zinc/16/95/89/328169589.db2.gz WVFZIHQGMZTEEL-OAHLLOKOSA-N 1 2 355.442 2.197 10 0 FEAELO CC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000190756877 328230434 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/nfs/dbraw/zinc/29/15/48/328291548.db2.gz JCEMGYILOKUFAH-INIZCTEOSA-N 1 2 369.550 2.275 10 0 FEAELO C[C@H](CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1)[NH+]1CCOCC1 ZINC000079506010 325094332 /nfs/dbraw/zinc/09/43/32/325094332.db2.gz QHDBWZAYBHAKSP-CYBMUJFWSA-N 1 2 356.426 2.065 10 0 FEAELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000081595383 325187972 /nfs/dbraw/zinc/18/79/72/325187972.db2.gz JSHPEVQJLYXSJO-DLBZAZTESA-N 1 2 371.510 2.328 10 0 FEAELO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000101728951 325478479 /nfs/dbraw/zinc/47/84/79/325478479.db2.gz KTNFIKGSHIMJQK-INIZCTEOSA-N 1 2 359.470 2.102 10 0 FEAELO CCc1noc([C@@H](C)N2CC[NH+]([C@@H](C)C(=O)NC(CC)CC)CC2)n1 ZINC000106137706 325585854 /nfs/dbraw/zinc/58/58/54/325585854.db2.gz SMSFCABTYWYFGA-UONOGXRCSA-N 1 2 351.495 2.004 10 0 FEAELO COc1ccc(OC)c(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000109644345 325671861 /nfs/dbraw/zinc/67/18/61/325671861.db2.gz VHFZIDULCVJATL-IBGZPJMESA-N 1 2 370.449 2.195 10 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O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743802 327216296 /nfs/dbraw/zinc/21/62/96/327216296.db2.gz NXDSPRHZIYUWTA-MRXNPFEDSA-N 1 2 360.845 2.072 10 0 FEAELO COc1cccc(C2(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)CCCC2)c1 ZINC000172755477 327217292 /nfs/dbraw/zinc/21/72/92/327217292.db2.gz FVNZYLIPJYWNHN-GOSISDBHSA-N 1 2 358.482 2.440 10 0 FEAELO O=C(CCc1ncc(-c2ccccc2F)o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172761253 327217654 /nfs/dbraw/zinc/21/76/54/327217654.db2.gz RXGRGMAHWURSBG-OAHLLOKOSA-N 1 2 373.428 2.346 10 0 FEAELO C[C@H](CNC(=O)[C@@H](C)Oc1cccc(Br)c1)[NH+]1CCOCC1 ZINC000173067928 327233486 /nfs/dbraw/zinc/23/34/86/327233486.db2.gz CRYSOWQEJMRLDA-CHWSQXEVSA-N 1 2 371.275 2.053 10 0 FEAELO CC(C)c1csc([C@H]2CCCN(C(=O)NCC[NH+]3CCOCC3)C2)n1 ZINC000173369151 327252471 /nfs/dbraw/zinc/25/24/71/327252471.db2.gz SRTSRDPHRMAJHU-HNNXBMFYSA-N 1 2 366.531 2.488 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOc2ccc(F)cc2)nc[nH+]1 ZINC000173431273 327256355 /nfs/dbraw/zinc/25/63/55/327256355.db2.gz KUCDVBQILIXNPC-HNNXBMFYSA-N 1 2 373.432 2.212 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)CCOc2ccc(F)cc2)[nH+]cn1 ZINC000173431273 327256357 /nfs/dbraw/zinc/25/63/57/327256357.db2.gz KUCDVBQILIXNPC-HNNXBMFYSA-N 1 2 373.432 2.212 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnc(SC)c2)nc[nH+]1 ZINC000173436624 327256943 /nfs/dbraw/zinc/25/69/43/327256943.db2.gz MNLGGPCITAEDNA-ZDUSSCGKSA-N 1 2 358.471 2.034 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnc(SC)c2)[nH+]cn1 ZINC000173436624 327256945 /nfs/dbraw/zinc/25/69/45/327256945.db2.gz MNLGGPCITAEDNA-ZDUSSCGKSA-N 1 2 358.471 2.034 10 0 FEAELO COc1ccc(OC)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000173623046 327271821 /nfs/dbraw/zinc/27/18/21/327271821.db2.gz VAIDHKKNIYDPIL-STQMWFEESA-N 1 2 373.457 2.309 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@H](O)COc3ccc4ccccc4c3)CCO2)[nH]1 ZINC000173662002 327274545 /nfs/dbraw/zinc/27/45/45/327274545.db2.gz IBINDEUOFKEJOO-PKOBYXMFSA-N 1 2 368.437 2.080 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@H](O)COc3ccc4ccccc4c3)CCO2)[nH]1 ZINC000173662002 327274547 /nfs/dbraw/zinc/27/45/47/327274547.db2.gz IBINDEUOFKEJOO-PKOBYXMFSA-N 1 2 368.437 2.080 10 0 FEAELO Cc1nnc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000173684196 327276528 /nfs/dbraw/zinc/27/65/28/327276528.db2.gz NATWQYZBVFFQTR-FUHWJXTLSA-N 1 2 374.485 2.224 10 0 FEAELO Cc1nnc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000173684196 327276531 /nfs/dbraw/zinc/27/65/31/327276531.db2.gz NATWQYZBVFFQTR-FUHWJXTLSA-N 1 2 374.485 2.224 10 0 FEAELO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173800190 327284879 /nfs/dbraw/zinc/28/48/79/327284879.db2.gz NODKDGOHKUZIEB-QGZVFWFLSA-N 1 2 372.469 2.282 10 0 FEAELO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173800180 327284999 /nfs/dbraw/zinc/28/49/99/327284999.db2.gz NODKDGOHKUZIEB-KRWDZBQOSA-N 1 2 372.469 2.282 10 0 FEAELO C[C@H]1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000173810518 327285757 /nfs/dbraw/zinc/28/57/57/327285757.db2.gz GOEVZAHFNZLANA-KSSFIOAISA-N 1 2 373.428 2.202 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173872515 327290463 /nfs/dbraw/zinc/29/04/63/327290463.db2.gz FJURLNPZDLDFAI-ABAIWWIYSA-N 1 2 371.250 2.381 10 0 FEAELO C[C@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173871930 327290514 /nfs/dbraw/zinc/29/05/14/327290514.db2.gz MFKYYHFEUPDHBB-XJKSGUPXSA-N 1 2 372.387 2.263 10 0 FEAELO COc1nc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc2ccccc21 ZINC000173877357 327290646 /nfs/dbraw/zinc/29/06/46/327290646.db2.gz OTMWNLBCUGZBCW-RDTXWAMCSA-N 1 2 355.438 2.036 10 0 FEAELO CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914670 327293930 /nfs/dbraw/zinc/29/39/30/327293930.db2.gz SVGHOGHLUCRLGY-XJKSGUPXSA-N 1 2 358.467 2.361 10 0 FEAELO C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173958826 327297774 /nfs/dbraw/zinc/29/77/74/327297774.db2.gz GSLHKIWGYSZJFH-CXAGYDPISA-N 1 2 358.417 2.009 10 0 FEAELO CCc1c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cnn1-c1ccccc1 ZINC000173959877 327297907 /nfs/dbraw/zinc/29/79/07/327297907.db2.gz VCKBHGLDOXIJOZ-UZLBHIALSA-N 1 2 368.481 2.227 10 0 FEAELO CC1=NN(c2ccc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)cc2)CC1 ZINC000173972808 327299031 /nfs/dbraw/zinc/29/90/31/327299031.db2.gz ZBQZLOAWLVPXQV-KXBFYZLASA-N 1 2 356.470 2.065 10 0 FEAELO CC[C@@H](O)CN1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000174070343 327304483 /nfs/dbraw/zinc/30/44/83/327304483.db2.gz QGMYQCJOQBBPIQ-MRXNPFEDSA-N 1 2 364.877 2.321 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)ccc2O)nc[nH+]1 ZINC000174742516 327347787 /nfs/dbraw/zinc/34/77/87/327347787.db2.gz ZNHMRPNOJINHHR-GFCCVEGCSA-N 1 2 361.833 2.276 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Cl)ccc2O)[nH+]cn1 ZINC000174742516 327347788 /nfs/dbraw/zinc/34/77/88/327347788.db2.gz ZNHMRPNOJINHHR-GFCCVEGCSA-N 1 2 361.833 2.276 10 0 FEAELO CC[C@H](COC)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000174910804 327360341 /nfs/dbraw/zinc/36/03/41/327360341.db2.gz FWYVMPLWJZKSNF-KFWWJZLASA-N 1 2 355.504 2.234 10 0 FEAELO CC[C@H](COC)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000174910804 327360342 /nfs/dbraw/zinc/36/03/42/327360342.db2.gz FWYVMPLWJZKSNF-KFWWJZLASA-N 1 2 355.504 2.234 10 0 FEAELO CCOCCN(CC)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174988187 327365774 /nfs/dbraw/zinc/36/57/74/327365774.db2.gz ARIGZXYZIXHKLM-MRXNPFEDSA-N 1 2 369.531 2.498 10 0 FEAELO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175007308 327367438 /nfs/dbraw/zinc/36/74/38/327367438.db2.gz MIQMOVIHKXOBMI-MAUKXSAKSA-N 1 2 351.466 2.413 10 0 FEAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCC2(O)CCCC2)c2cccs2)CCO1 ZINC000175051885 327370894 /nfs/dbraw/zinc/37/08/94/327370894.db2.gz PMJCXGDWLTWZFW-CABCVRRESA-N 1 2 367.515 2.114 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCC2(O)CCCC2)c2cccs2)CCO1 ZINC000175051885 327370896 /nfs/dbraw/zinc/37/08/96/327370896.db2.gz PMJCXGDWLTWZFW-CABCVRRESA-N 1 2 367.515 2.114 10 0 FEAELO CC[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000175061122 327371446 /nfs/dbraw/zinc/37/14/46/327371446.db2.gz NJRHCNUPLJOTKJ-OAGGEKHMSA-N 1 2 367.515 2.330 10 0 FEAELO CC[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000175061122 327371447 /nfs/dbraw/zinc/37/14/47/327371447.db2.gz NJRHCNUPLJOTKJ-OAGGEKHMSA-N 1 2 367.515 2.330 10 0 FEAELO Cn1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)nnc1C1CC1 ZINC000175163763 327377536 /nfs/dbraw/zinc/37/75/36/327377536.db2.gz IENJMFVFZGLXHH-QGZVFWFLSA-N 1 2 353.470 2.477 10 0 FEAELO Cn1c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)nnc1C1CC1 ZINC000175163763 327377537 /nfs/dbraw/zinc/37/75/37/327377537.db2.gz IENJMFVFZGLXHH-QGZVFWFLSA-N 1 2 353.470 2.477 10 0 FEAELO Cc1nnc(NC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)s1 ZINC000175357507 327388878 /nfs/dbraw/zinc/38/88/78/327388878.db2.gz UXKJUNNIKNSEIW-GFCCVEGCSA-N 1 2 367.500 2.445 10 0 FEAELO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176493017 327459207 /nfs/dbraw/zinc/45/92/07/327459207.db2.gz MGCILDRRUSIAML-GOEBONIOSA-N 1 2 352.862 2.431 10 0 FEAELO Cc1ccc([C@H](CNC(=O)Cc2cccc(O)c2)[NH+]2CCOCC2)s1 ZINC000176567563 327463775 /nfs/dbraw/zinc/46/37/75/327463775.db2.gz OCXFMXVCUKWBRZ-KRWDZBQOSA-N 1 2 360.479 2.494 10 0 FEAELO CC(C)c1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000176992107 327489086 /nfs/dbraw/zinc/48/90/86/327489086.db2.gz BCLKPNCBSWVIRK-YJBOKZPZSA-N 1 2 352.500 2.151 10 0 FEAELO C[C@H]1CN(C(=O)Nc2nc3c(s2)CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000177234888 327508682 /nfs/dbraw/zinc/50/86/82/327508682.db2.gz YGGNXFJHFAAGBZ-GXTWGEPZSA-N 1 2 350.488 2.206 10 0 FEAELO C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1=O ZINC000177767043 327543654 /nfs/dbraw/zinc/54/36/54/327543654.db2.gz OTATWURJGWCSHS-HZPDHXFCSA-N 1 2 368.437 2.078 10 0 FEAELO C[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000246581208 328629550 /nfs/dbraw/zinc/62/95/50/328629550.db2.gz UCJIMZQZXVODPQ-MAUKXSAKSA-N 1 2 366.527 2.325 10 0 FEAELO C[C@@H]1CN(C(=O)c2ccccc2OC[C@H]2CCCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000246998745 328661337 /nfs/dbraw/zinc/66/13/37/328661337.db2.gz NTKFUIDDEUETKD-LMMKCTJWSA-N 1 2 374.481 2.037 10 0 FEAELO C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263107371 328915916 /nfs/dbraw/zinc/91/59/16/328915916.db2.gz ABWYIIVMXFLHJR-NHYWBVRUSA-N 1 2 359.367 2.167 10 0 FEAELO O[C@H](C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1)C(F)(F)F ZINC000158242405 545838980 /nfs/dbraw/zinc/83/89/80/545838980.db2.gz FKWSMASIEOVCRE-OAHLLOKOSA-N 1 2 355.360 2.382 10 0 FEAELO O[C@@H](C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1)C(F)(F)F ZINC000158242252 545839768 /nfs/dbraw/zinc/83/97/68/545839768.db2.gz FKWSMASIEOVCRE-HNNXBMFYSA-N 1 2 355.360 2.382 10 0 FEAELO C[C@H](NC(=O)NCC1(CO)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000159294174 545940405 /nfs/dbraw/zinc/94/04/05/545940405.db2.gz RLPDNXNRGJERTB-HNNXBMFYSA-N 1 2 358.442 2.022 10 0 FEAELO CCn1c(C)nnc1C[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000172251005 546243354 /nfs/dbraw/zinc/24/33/54/546243354.db2.gz UWMGENVVBLOGIW-CQSZACIVSA-N 1 2 372.391 2.497 10 0 FEAELO CCn1c(C)nnc1C[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000172251005 546243360 /nfs/dbraw/zinc/24/33/60/546243360.db2.gz UWMGENVVBLOGIW-CQSZACIVSA-N 1 2 372.391 2.497 10 0 FEAELO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000177035785 546529791 /nfs/dbraw/zinc/52/97/91/546529791.db2.gz BZDADWQBXWGSBN-CQSZACIVSA-N 1 2 350.419 2.267 10 0 FEAELO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000177035785 546529794 /nfs/dbraw/zinc/52/97/94/546529794.db2.gz BZDADWQBXWGSBN-CQSZACIVSA-N 1 2 350.419 2.267 10 0 FEAELO Cc1ccc(NC(=O)CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000177242503 546577313 /nfs/dbraw/zinc/57/73/13/546577313.db2.gz CATIAYSAFCBRHE-WMLDXEAASA-N 1 2 351.878 2.239 10 0 FEAELO CC(C)c1nc([C@H]2CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)no1 ZINC000177477707 546627991 /nfs/dbraw/zinc/62/79/91/546627991.db2.gz WHQVUMSVEGNWKR-CQSZACIVSA-N 1 2 365.478 2.150 10 0 FEAELO CC(C)c1nc([C@H]2CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)no1 ZINC000177477707 546627992 /nfs/dbraw/zinc/62/79/92/546627992.db2.gz WHQVUMSVEGNWKR-CQSZACIVSA-N 1 2 365.478 2.150 10 0 FEAELO CC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccccc1OCC(=O)N(C)C ZINC000179726434 547004451 /nfs/dbraw/zinc/00/44/51/547004451.db2.gz NEMPZQXPYQBVNX-MRXNPFEDSA-N 1 2 371.485 2.400 10 0 FEAELO CCC[C@@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCO1 ZINC000180080408 547049186 /nfs/dbraw/zinc/04/91/86/547049186.db2.gz GTERFMNSCWNDOD-ZCNNSNEGSA-N 1 2 360.498 2.460 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cnn(C(C)C)c3C)CC2)cn1 ZINC000180170191 547062269 /nfs/dbraw/zinc/06/22/69/547062269.db2.gz TWMYAZHQLIINML-UHFFFAOYSA-N 1 2 358.490 2.337 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3cnn(C(C)C)c3C)CC2)cn1 ZINC000180170191 547062273 /nfs/dbraw/zinc/06/22/73/547062273.db2.gz TWMYAZHQLIINML-UHFFFAOYSA-N 1 2 358.490 2.337 10 0 FEAELO Cc1cc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc(=O)[nH]1 ZINC000180522621 547123518 /nfs/dbraw/zinc/12/35/18/547123518.db2.gz JWLOYXVVZRAEHB-UKRRQHHQSA-N 1 2 361.467 2.349 10 0 FEAELO Cc1cc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc(=O)[nH]1 ZINC000180522621 547123526 /nfs/dbraw/zinc/12/35/26/547123526.db2.gz JWLOYXVVZRAEHB-UKRRQHHQSA-N 1 2 361.467 2.349 10 0 FEAELO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC000182404174 547487238 /nfs/dbraw/zinc/48/72/38/547487238.db2.gz XLZVKJLAUPYUHS-GOSISDBHSA-N 1 2 374.506 2.431 10 0 FEAELO C[C@@H]([NH2+]Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@@H]1CCCO1 ZINC000183115944 547604139 /nfs/dbraw/zinc/60/41/39/547604139.db2.gz XZDVCFROZPPNKQ-RISCZKNCSA-N 1 2 364.446 2.264 10 0 FEAELO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)[C@H]3CCCO3)s2)cc1 ZINC000183228893 547624107 /nfs/dbraw/zinc/62/41/07/547624107.db2.gz DMAZSAVHSVALJT-BXUZGUMPSA-N 1 2 362.455 2.456 10 0 FEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000184258987 547795712 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C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cccc3n[nH]nc32)c2cccs2)CCO1 ZINC000188286783 548276476 /nfs/dbraw/zinc/27/64/76/548276476.db2.gz IEFGHKHCZOCAIM-DOMZBBRYSA-N 1 2 371.466 2.211 10 0 FEAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cccc3n[nH]nc32)c2cccs2)CCO1 ZINC000188286783 548276481 /nfs/dbraw/zinc/27/64/81/548276481.db2.gz IEFGHKHCZOCAIM-DOMZBBRYSA-N 1 2 371.466 2.211 10 0 FEAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000188540018 548281817 /nfs/dbraw/zinc/28/18/17/548281817.db2.gz GAQKILOSYXSDHC-HNNXBMFYSA-N 1 2 371.403 2.367 10 0 FEAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000188540018 548281820 /nfs/dbraw/zinc/28/18/20/548281820.db2.gz GAQKILOSYXSDHC-HNNXBMFYSA-N 1 2 371.403 2.367 10 0 FEAELO Cc1cc(CSc2ccccc2C(=O)NC[C@H]2C[N@H+](C)CCO2)on1 ZINC000194618154 548505895 /nfs/dbraw/zinc/50/58/95/548505895.db2.gz FGBHTUOODAYTPN-HNNXBMFYSA-N 1 2 361.467 2.336 10 0 FEAELO Cc1cc(CSc2ccccc2C(=O)NC[C@H]2C[N@@H+](C)CCO2)on1 ZINC000194618154 548505900 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CC(C)Oc1ccc(CC[C@H](C)NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000104785276 543143824 /nfs/dbraw/zinc/14/38/24/543143824.db2.gz QNUHGUZZZIHXEC-LPHOPBHVSA-N 1 2 363.502 2.425 10 0 FEAELO CC(C)Oc1ccc(CC[C@H](C)NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000104785276 543143826 /nfs/dbraw/zinc/14/38/26/543143826.db2.gz QNUHGUZZZIHXEC-LPHOPBHVSA-N 1 2 363.502 2.425 10 0 FEAELO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104791134 543144612 /nfs/dbraw/zinc/14/46/12/543144612.db2.gz AEJOHPNDRHLBIQ-YJBOKZPZSA-N 1 2 363.502 2.381 10 0 FEAELO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104791134 543144615 /nfs/dbraw/zinc/14/46/15/543144615.db2.gz AEJOHPNDRHLBIQ-YJBOKZPZSA-N 1 2 363.502 2.381 10 0 FEAELO c1ccc(Cc2noc(C[N@@H+]3CCCN(c4cccnn4)CC3)n2)cc1 ZINC000106069304 543188031 /nfs/dbraw/zinc/18/80/31/543188031.db2.gz FXGHDBPOIBOZAM-UHFFFAOYSA-N 1 2 350.426 2.163 10 0 FEAELO c1ccc(Cc2noc(C[N@H+]3CCCN(c4cccnn4)CC3)n2)cc1 ZINC000106069304 543188035 /nfs/dbraw/zinc/18/80/35/543188035.db2.gz FXGHDBPOIBOZAM-UHFFFAOYSA-N 1 2 350.426 2.163 10 0 FEAELO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)Nc1ccnn1C1CCCC1 ZINC000106081999 543192278 /nfs/dbraw/zinc/19/22/78/543192278.db2.gz XXVAKUSOVFLTPK-UHFFFAOYSA-N 1 2 369.473 2.303 10 0 FEAELO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106082374 543192585 /nfs/dbraw/zinc/19/25/85/543192585.db2.gz TWLCLSWROXGZKX-ZDUSSCGKSA-N 1 2 350.426 2.351 10 0 FEAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)n1 ZINC000106135864 543206662 /nfs/dbraw/zinc/20/66/62/543206662.db2.gz UVHQWWMTFDXILW-JYJNAYRXSA-N 1 2 371.485 2.323 10 0 FEAELO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)n1 ZINC000106138784 543207144 /nfs/dbraw/zinc/20/71/44/543207144.db2.gz XEGKNVNCDMIPIE-HOTGVXAUSA-N 1 2 365.522 2.345 10 0 FEAELO CC(C)N(C(=O)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1)C(C)C ZINC000106145508 543208806 /nfs/dbraw/zinc/20/88/06/543208806.db2.gz YRFBBKDVIWMGKF-UHFFFAOYSA-N 1 2 363.550 2.401 10 0 FEAELO CC(C)[C@H](C)NC(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161831 543210951 /nfs/dbraw/zinc/21/09/51/543210951.db2.gz LNMZTKOFSHKUMF-HOTGVXAUSA-N 1 2 353.532 2.214 10 0 FEAELO CC(C)[C@H](C)NC(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106161831 543210954 /nfs/dbraw/zinc/21/09/54/543210954.db2.gz LNMZTKOFSHKUMF-HOTGVXAUSA-N 1 2 353.532 2.214 10 0 FEAELO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1C ZINC000106193479 543215862 /nfs/dbraw/zinc/21/58/62/543215862.db2.gz GXEZLCNHWWMOTQ-MJGOQNOKSA-N 1 2 356.470 2.078 10 0 FEAELO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1C ZINC000106193479 543215865 /nfs/dbraw/zinc/21/58/65/543215865.db2.gz GXEZLCNHWWMOTQ-MJGOQNOKSA-N 1 2 356.470 2.078 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3C)CCO2)c1 ZINC000106195593 543216109 /nfs/dbraw/zinc/21/61/09/543216109.db2.gz JZIPIHMGSWLAIT-FHWLQOOXSA-N 1 2 370.497 2.467 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3C)CCO2)c1 ZINC000106195593 543216111 /nfs/dbraw/zinc/21/61/11/543216111.db2.gz JZIPIHMGSWLAIT-FHWLQOOXSA-N 1 2 370.497 2.467 10 0 FEAELO COc1ccc(CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H](C)C2CC2)cc1 ZINC000108930520 543308415 /nfs/dbraw/zinc/30/84/15/543308415.db2.gz FFXBEVDMJYBEAD-DNVCBOLYSA-N 1 2 361.486 2.336 10 0 FEAELO COc1ccc(CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C2CC2)cc1 ZINC000108930520 543308417 /nfs/dbraw/zinc/30/84/17/543308417.db2.gz FFXBEVDMJYBEAD-DNVCBOLYSA-N 1 2 361.486 2.336 10 0 FEAELO COc1ccc(Cl)cc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000109656475 543331621 /nfs/dbraw/zinc/33/16/21/543331621.db2.gz GVCRMUKUBBHKMO-UHFFFAOYSA-N 1 2 362.861 2.430 10 0 FEAELO COc1ccc(Cl)cc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000109656475 543331622 /nfs/dbraw/zinc/33/16/22/543331622.db2.gz GVCRMUKUBBHKMO-UHFFFAOYSA-N 1 2 362.861 2.430 10 0 FEAELO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000113227187 543477908 /nfs/dbraw/zinc/47/79/08/543477908.db2.gz RTPVJEMUBUQACA-VHSXEESVSA-N 1 2 364.439 2.053 10 0 FEAELO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000113227187 543477911 /nfs/dbraw/zinc/47/79/11/543477911.db2.gz RTPVJEMUBUQACA-VHSXEESVSA-N 1 2 364.439 2.053 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000113498369 543489274 /nfs/dbraw/zinc/48/92/74/543489274.db2.gz QYHNHPDRHGZRRP-UHFFFAOYSA-N 1 2 367.515 2.388 10 0 FEAELO CC(C)(C)c1cc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[nH]n1 ZINC000114691708 543529948 /nfs/dbraw/zinc/52/99/48/543529948.db2.gz FLZAICLJCCDVFD-QGZVFWFLSA-N 1 2 356.470 2.199 10 0 FEAELO Cc1ccc(F)cc1C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117311443 543629313 /nfs/dbraw/zinc/62/93/13/543629313.db2.gz IQEDHXMYCOCDIO-SFHVURJKSA-N 1 2 372.440 2.332 10 0 FEAELO Cc1ccc(F)c(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000117311257 543629679 /nfs/dbraw/zinc/62/96/79/543629679.db2.gz SSYSSODGDQTOPX-QGZVFWFLSA-N 1 2 372.440 2.332 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000117521551 543635341 /nfs/dbraw/zinc/63/53/41/543635341.db2.gz LWHHTKMPPOSZEY-CQSZACIVSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000117521551 543635345 /nfs/dbraw/zinc/63/53/45/543635345.db2.gz LWHHTKMPPOSZEY-CQSZACIVSA-N 1 2 367.877 2.156 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)nc[nH+]1 ZINC000122712905 543719256 /nfs/dbraw/zinc/71/92/56/543719256.db2.gz AJJWBIKHNDONRO-DOMZBBRYSA-N 1 2 371.489 2.137 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)[nH+]cn1 ZINC000122712905 543719260 /nfs/dbraw/zinc/71/92/60/543719260.db2.gz AJJWBIKHNDONRO-DOMZBBRYSA-N 1 2 371.489 2.137 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(OC(C)C)n2)nc[nH+]1 ZINC000122888847 543730027 /nfs/dbraw/zinc/73/00/27/543730027.db2.gz ZAWYKBLYYZTDSY-AWEZNQCLSA-N 1 2 370.457 2.099 10 0 FEAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(OC(C)C)n2)[nH+]cn1 ZINC000122888847 543730029 /nfs/dbraw/zinc/73/00/29/543730029.db2.gz ZAWYKBLYYZTDSY-AWEZNQCLSA-N 1 2 370.457 2.099 10 0 FEAELO C[C@@H](CNC(=O)Nc1ccn(-c2ccccc2Cl)n1)[NH+]1CCOCC1 ZINC000129403222 544109834 /nfs/dbraw/zinc/10/98/34/544109834.db2.gz JTYIFHSVHBXWNY-ZDUSSCGKSA-N 1 2 363.849 2.368 10 0 FEAELO CCc1ncc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000131786554 544206879 /nfs/dbraw/zinc/20/68/79/544206879.db2.gz KUUBYHHQDRPNFF-ZDUSSCGKSA-N 1 2 364.409 2.041 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)CSCC(F)(F)F)CC2)cn1 ZINC000132839203 544245494 /nfs/dbraw/zinc/24/54/94/544245494.db2.gz BNZCNBPCJUOVBL-UHFFFAOYSA-N 1 2 364.437 2.233 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)CSCC(F)(F)F)CC2)cn1 ZINC000132839203 544245495 /nfs/dbraw/zinc/24/54/95/544245495.db2.gz BNZCNBPCJUOVBL-UHFFFAOYSA-N 1 2 364.437 2.233 10 0 FEAELO CCOCCC1(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC000132762610 544243218 /nfs/dbraw/zinc/24/32/18/544243218.db2.gz PPPBCIPYDCLKRR-UHFFFAOYSA-N 1 2 366.531 2.486 10 0 FEAELO CC(C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000133324552 544264839 /nfs/dbraw/zinc/26/48/39/544264839.db2.gz DCYCVBSLUZJIGV-ROUUACIJSA-N 1 2 363.502 2.188 10 0 FEAELO Fc1cc(-c2noc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)n2)cc(F)c1F ZINC000135254793 544339433 /nfs/dbraw/zinc/33/94/33/544339433.db2.gz LYWCBFILVUKRHT-LBPRGKRZSA-N 1 2 368.359 2.060 10 0 FEAELO Fc1cc(-c2noc(C[N@H+]3CC[C@H](N4CCOCC4)C3)n2)cc(F)c1F ZINC000135254793 544339435 /nfs/dbraw/zinc/33/94/35/544339435.db2.gz LYWCBFILVUKRHT-LBPRGKRZSA-N 1 2 368.359 2.060 10 0 FEAELO Fc1cc(-c2noc(CN3CC[C@H]([NH+]4CCOCC4)C3)n2)cc(F)c1F ZINC000135254793 544339437 /nfs/dbraw/zinc/33/94/37/544339437.db2.gz LYWCBFILVUKRHT-LBPRGKRZSA-N 1 2 368.359 2.060 10 0 FEAELO COC(=O)c1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)c(F)c1 ZINC000135442063 544346906 /nfs/dbraw/zinc/34/69/06/544346906.db2.gz PEEDTQZBWOCTER-UHFFFAOYSA-N 1 2 360.433 2.054 10 0 FEAELO COC(=O)c1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)c(F)c1 ZINC000135442063 544346908 /nfs/dbraw/zinc/34/69/08/544346908.db2.gz PEEDTQZBWOCTER-UHFFFAOYSA-N 1 2 360.433 2.054 10 0 FEAELO C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000135339129 544342870 /nfs/dbraw/zinc/34/28/70/544342870.db2.gz OMQGFKHURCUXKF-RLFYNMQTSA-N 1 2 358.442 2.115 10 0 FEAELO CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000150855338 544478990 /nfs/dbraw/zinc/47/89/90/544478990.db2.gz AXERAACSWOFDIA-LBPRGKRZSA-N 1 2 372.263 2.300 10 0 FEAELO CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000150855338 544478995 /nfs/dbraw/zinc/47/89/95/544478995.db2.gz AXERAACSWOFDIA-LBPRGKRZSA-N 1 2 372.263 2.300 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3c(C)[nH]nc3C(C)C)CC2)cn1 ZINC000153006644 544722276 /nfs/dbraw/zinc/72/22/76/544722276.db2.gz FKMRLVGHHRBUNV-UHFFFAOYSA-N 1 2 358.490 2.406 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3c(C)[nH]nc3C(C)C)CC2)cn1 ZINC000153006644 544722280 /nfs/dbraw/zinc/72/22/80/544722280.db2.gz FKMRLVGHHRBUNV-UHFFFAOYSA-N 1 2 358.490 2.406 10 0 FEAELO CCn1cc(C[N@@H+]2CCCN(C(=O)c3c(C)n[nH]c3C(C)C)CC2)cn1 ZINC000153006644 544722285 /nfs/dbraw/zinc/72/22/85/544722285.db2.gz FKMRLVGHHRBUNV-UHFFFAOYSA-N 1 2 358.490 2.406 10 0 FEAELO CCn1cc(C[N@H+]2CCCN(C(=O)c3c(C)n[nH]c3C(C)C)CC2)cn1 ZINC000153006644 544722288 /nfs/dbraw/zinc/72/22/88/544722288.db2.gz FKMRLVGHHRBUNV-UHFFFAOYSA-N 1 2 358.490 2.406 10 0 FEAELO Cc1ccc([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)[NH+]2CCOCC2)s1 ZINC000153360596 544766653 /nfs/dbraw/zinc/76/66/53/544766653.db2.gz OPKMXTODHTZKKP-MRXNPFEDSA-N 1 2 371.462 2.133 10 0 FEAELO CCCC[C@H](COC)NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000153782894 544822478 /nfs/dbraw/zinc/82/24/78/544822478.db2.gz DZTVDMZHFMWTJW-OAHLLOKOSA-N 1 2 354.520 2.484 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@H+](CC(=O)N(C)[C@H](C)c3ccc(F)cc3)CCO2)c1 ZINC000247533280 549351515 /nfs/dbraw/zinc/35/15/15/549351515.db2.gz CEMBBNNWZDVVBE-APWZRJJASA-N 1 2 374.460 2.251 10 0 FEAELO Cc1cnn(C[C@@H]2C[N@@H+](CC(=O)N(C)[C@H](C)c3ccc(F)cc3)CCO2)c1 ZINC000247533280 549351517 /nfs/dbraw/zinc/35/15/17/549351517.db2.gz CEMBBNNWZDVVBE-APWZRJJASA-N 1 2 374.460 2.251 10 0 FEAELO O=C(CCCSc1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000154122218 544867644 /nfs/dbraw/zinc/86/76/44/544867644.db2.gz RKDJLIIKQBEMDE-OAHLLOKOSA-N 1 2 372.918 2.022 10 0 FEAELO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000154775069 544947955 /nfs/dbraw/zinc/94/79/55/544947955.db2.gz APHXXKQNOJZJAP-LSDHHAIUSA-N 1 2 350.463 2.425 10 0 FEAELO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nn1-c1ccc(C)cc1 ZINC000180484596 327687557 /nfs/dbraw/zinc/68/75/57/327687557.db2.gz PCWXONNWVVBREG-OXQOHEQNSA-N 1 2 368.481 2.282 10 0 FEAELO C[C@@H](NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000181617326 327738699 /nfs/dbraw/zinc/73/86/99/327738699.db2.gz PZYOMEFVVZZRFN-HUUCEWRRSA-N 1 2 367.453 2.243 10 0 FEAELO CC(=O)c1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000182791430 327788978 /nfs/dbraw/zinc/78/89/78/327788978.db2.gz GTOFKPIFUYWDMW-UHFFFAOYSA-N 1 2 368.437 2.270 10 0 FEAELO COc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000182799204 327789123 /nfs/dbraw/zinc/78/91/23/327789123.db2.gz UCANPPUSSSKZBZ-UHFFFAOYSA-N 1 2 356.426 2.076 10 0 FEAELO CCO[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(C)C)C12CCOCC2 ZINC000185756105 327931734 /nfs/dbraw/zinc/93/17/34/327931734.db2.gz SDCJYZVMVBMZPM-HZPDHXFCSA-N 1 2 364.490 2.313 10 0 FEAELO CSCCCCCNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000186191782 327950571 /nfs/dbraw/zinc/95/05/71/327950571.db2.gz KJTJLDGPFWUHEY-UHFFFAOYSA-N 1 2 367.563 2.397 10 0 FEAELO Cc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1Br ZINC000187084902 328001272 /nfs/dbraw/zinc/00/12/72/328001272.db2.gz HDISCAHUKOKZJD-CYBMUJFWSA-N 1 2 355.276 2.137 10 0 FEAELO C[C@@H]1CCC[C@@H]1CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000187646868 328037668 /nfs/dbraw/zinc/03/76/68/328037668.db2.gz PCVQQFPZZTYRTF-QRVBRYPASA-N 1 2 360.498 2.397 10 0 FEAELO O=C(c1ccnc2ccncc21)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000188428710 328086496 /nfs/dbraw/zinc/08/64/96/328086496.db2.gz IZYXKFNDYGFHHF-HXUWFJFHSA-N 1 2 362.433 2.121 10 0 FEAELO COc1cc(C[N@@H+]2CCCNC(=O)[C@H]2C)ccc1OCc1ccncc1 ZINC000189085766 328127798 /nfs/dbraw/zinc/12/77/98/328127798.db2.gz IFAOCFLKHMZRPT-OAHLLOKOSA-N 1 2 355.438 2.380 10 0 FEAELO COc1cc(C[N@H+]2CCCNC(=O)[C@H]2C)ccc1OCc1ccncc1 ZINC000189085766 328127800 /nfs/dbraw/zinc/12/78/00/328127800.db2.gz IFAOCFLKHMZRPT-OAHLLOKOSA-N 1 2 355.438 2.380 10 0 FEAELO CCc1nc2cc(NC(=O)C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)ccc2o1 ZINC000190749603 328230096 /nfs/dbraw/zinc/23/00/96/328230096.db2.gz RPTVLESOPPWQEZ-CQSZACIVSA-N 1 2 367.409 2.216 10 0 FEAELO CC(=O)c1c[nH]c(C(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000191872396 328286150 /nfs/dbraw/zinc/28/61/50/328286150.db2.gz ZFYBUAJWPVIHPV-UHFFFAOYSA-N 1 2 363.458 2.095 10 0 FEAELO CC(=O)c1c[nH]c(C(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000191872396 328286151 /nfs/dbraw/zinc/28/61/51/328286151.db2.gz ZFYBUAJWPVIHPV-UHFFFAOYSA-N 1 2 363.458 2.095 10 0 FEAELO C[C@H]1CN(CC[NH+]2CCN(Cc3nc(-c4ccccc4)co3)CC2)CCO1 ZINC000192735453 328336187 /nfs/dbraw/zinc/33/61/87/328336187.db2.gz VHOAHKLBZWTTFS-SFHVURJKSA-N 1 2 370.497 2.180 10 0 FEAELO CC(C)(C)c1csc([C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)n1 ZINC000193276366 328366613 /nfs/dbraw/zinc/36/66/13/328366613.db2.gz GOKWMLHBMRYWJR-ZDUSSCGKSA-N 1 2 363.487 2.420 10 0 FEAELO COc1ccccc1NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000008273209 324361438 /nfs/dbraw/zinc/36/14/38/324361438.db2.gz KEAWANPAQOWZPY-UHFFFAOYSA-N 1 2 357.458 2.395 10 0 FEAELO COc1cc(CCNC(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OC(F)F ZINC000015255300 324381484 /nfs/dbraw/zinc/38/14/84/324381484.db2.gz PQUDQFCALCHRNO-CHWSQXEVSA-N 1 2 372.412 2.065 10 0 FEAELO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000076999884 324973990 /nfs/dbraw/zinc/97/39/90/324973990.db2.gz IINYUUHPMUMSBR-PMACEKPBSA-N 1 2 369.509 2.159 10 0 FEAELO CCc1noc(-c2ccc(C)c(NC(=O)NC[C@H](C)[NH+]3CCOCC3)c2)n1 ZINC000079834345 325106249 /nfs/dbraw/zinc/10/62/49/325106249.db2.gz FSALKCJCKCOQDA-AWEZNQCLSA-N 1 2 373.457 2.450 10 0 FEAELO C[C@H](CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)Cn1cc[nH+]c1 ZINC000081799050 325197379 /nfs/dbraw/zinc/19/73/79/325197379.db2.gz YQESLVXWNYGFBX-HHXXYDBFSA-N 1 2 354.454 2.245 10 0 FEAELO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(N(C)c3cccnn3)CC2)sc1C ZINC000106083698 325577978 /nfs/dbraw/zinc/57/79/78/325577978.db2.gz ZQROVSMHKRRXFG-ZDUSSCGKSA-N 1 2 374.514 2.478 10 0 FEAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000106372017 325595867 /nfs/dbraw/zinc/59/58/67/325595867.db2.gz CHASUKBCXYVEJM-ZDUSSCGKSA-N 1 2 369.469 2.028 10 0 FEAELO CC(=O)c1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000111612810 325727128 /nfs/dbraw/zinc/72/71/28/325727128.db2.gz GESDGNGMRQZKSR-HXUWFJFHSA-N 1 2 352.434 2.381 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000245503223 328554305 /nfs/dbraw/zinc/55/43/05/328554305.db2.gz HTIWOEWZLRBXIC-AGGWBTHJSA-N 1 2 352.504 2.235 10 0 FEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000114719967 325916591 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O=C(Nc1ccccc1F)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000117399870 326060095 /nfs/dbraw/zinc/06/00/95/326060095.db2.gz OJWGPTGOUPVGSP-INIZCTEOSA-N 1 2 373.428 2.415 10 0 FEAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@H](C)Oc3cccnc3)CC2)cs1 ZINC000117792796 326071119 /nfs/dbraw/zinc/07/11/19/326071119.db2.gz OKZMTSDDKJCVOQ-AWEZNQCLSA-N 1 2 360.483 2.348 10 0 FEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H](C)Oc3cccnc3)CC2)cs1 ZINC000117792796 326071122 /nfs/dbraw/zinc/07/11/22/326071122.db2.gz OKZMTSDDKJCVOQ-AWEZNQCLSA-N 1 2 360.483 2.348 10 0 FEAELO C[C@@H](C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1)c1cccs1 ZINC000119165366 326133206 /nfs/dbraw/zinc/13/32/06/326133206.db2.gz ODCQNLPPRBIMFB-SJORKVTESA-N 1 2 374.506 2.436 10 0 FEAELO Cc1ccc([C@H](CNC(=O)N[C@H](CO)CC(C)C)[NH+]2CCOCC2)s1 ZINC000119958801 326215982 /nfs/dbraw/zinc/21/59/82/326215982.db2.gz DIKXVFFQARMQQC-HOTGVXAUSA-N 1 2 369.531 2.136 10 0 FEAELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)s1 ZINC000119984808 326218484 /nfs/dbraw/zinc/21/84/84/326218484.db2.gz BHGABLPOKASFMH-UHFFFAOYSA-N 1 2 355.467 2.215 10 0 FEAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cccc(-c2cccs2)c1 ZINC000120388131 326254701 /nfs/dbraw/zinc/25/47/01/326254701.db2.gz NMVIHSAYWCYKRF-MRXNPFEDSA-N 1 2 361.467 2.230 10 0 FEAELO Cc1nc(CC(C)C)c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000121359857 326332855 /nfs/dbraw/zinc/33/28/55/326332855.db2.gz MAXPYSIHUPCFOS-XJKSGUPXSA-N 1 2 351.516 2.443 10 0 FEAELO CCOc1ccnc(N2CC[NH+](Cc3ccc(OC)cc3OC)CC2)n1 ZINC000121497096 326343358 /nfs/dbraw/zinc/34/33/58/326343358.db2.gz ZKBAXWWCMRPTJX-UHFFFAOYSA-N 1 2 358.442 2.215 10 0 FEAELO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000121925589 326376263 /nfs/dbraw/zinc/37/62/63/326376263.db2.gz ANIPEPHHDUPRKC-MRVPVSSYSA-N 1 2 364.190 2.179 10 0 FEAELO C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(F)c(Br)cc2F)C1 ZINC000121925589 326376265 /nfs/dbraw/zinc/37/62/65/326376265.db2.gz ANIPEPHHDUPRKC-MRVPVSSYSA-N 1 2 364.190 2.179 10 0 FEAELO c1cnn(C[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)c1 ZINC000122311497 326391887 /nfs/dbraw/zinc/39/18/87/326391887.db2.gz IBSOAXJRJVTCDH-SFHVURJKSA-N 1 2 351.410 2.366 10 0 FEAELO c1cnn(C[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)c1 ZINC000122311497 326391888 /nfs/dbraw/zinc/39/18/88/326391888.db2.gz IBSOAXJRJVTCDH-SFHVURJKSA-N 1 2 351.410 2.366 10 0 FEAELO COc1cc(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc(OC)c1OC ZINC000122475524 326398294 /nfs/dbraw/zinc/39/82/94/326398294.db2.gz UPXPFMMSRVVQMR-INIZCTEOSA-N 1 2 361.442 2.118 10 0 FEAELO COc1cc(C[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc(OC)c1OC ZINC000122475524 326398295 /nfs/dbraw/zinc/39/82/95/326398295.db2.gz UPXPFMMSRVVQMR-INIZCTEOSA-N 1 2 361.442 2.118 10 0 FEAELO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c2cccnc12 ZINC000123400759 326430161 /nfs/dbraw/zinc/43/01/61/326430161.db2.gz KLUDUNQLOKJZCK-CQSZACIVSA-N 1 2 356.426 2.182 10 0 FEAELO C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000134792903 326631398 /nfs/dbraw/zinc/63/13/98/326631398.db2.gz GGRJOAWZXUNHHJ-ZIAGYGMSSA-N 1 2 364.471 2.056 10 0 FEAELO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(Br)n1 ZINC000151533684 326684869 /nfs/dbraw/zinc/68/48/69/326684869.db2.gz VQNTZYZDPFKMMR-LBPRGKRZSA-N 1 2 369.263 2.091 10 0 FEAELO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152646173 326712965 /nfs/dbraw/zinc/71/29/65/326712965.db2.gz DIMRNJJTNLWWLO-HOTGVXAUSA-N 1 2 374.485 2.424 10 0 FEAELO C[C@H](CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)[NH+]1CCOCC1 ZINC000153004343 326721554 /nfs/dbraw/zinc/72/15/54/326721554.db2.gz RQRFFJLDSVJXNG-MRXNPFEDSA-N 1 2 368.481 2.265 10 0 FEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC(c2cc[nH]n2)CC1 ZINC000156634405 326838728 /nfs/dbraw/zinc/83/87/28/326838728.db2.gz OFLAUYZTGSTTQK-UHFFFAOYSA-N 1 2 354.458 2.363 10 0 FEAELO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1OCC(=O)N(C)C ZINC000164760120 327074218 /nfs/dbraw/zinc/07/42/18/327074218.db2.gz GNZNJFLRLZZQKQ-JKSUJKDBSA-N 1 2 357.458 2.321 10 0 FEAELO COc1cc(Br)cc(C)c1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170708311 327095044 /nfs/dbraw/zinc/09/50/44/327095044.db2.gz DPUZIUVWCOASSS-GFCCVEGCSA-N 1 2 372.263 2.218 10 0 FEAELO COc1cc(Br)cc(C)c1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170708311 327095045 /nfs/dbraw/zinc/09/50/45/327095045.db2.gz DPUZIUVWCOASSS-GFCCVEGCSA-N 1 2 372.263 2.218 10 0 FEAELO Cc1nc(CN2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)no1 ZINC000170942785 327108924 /nfs/dbraw/zinc/10/89/24/327108924.db2.gz PIOPMKNABYHFMG-UHFFFAOYSA-N 1 2 360.849 2.387 10 0 FEAELO Cc1nc(CN2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)no1 ZINC000170942785 327108925 /nfs/dbraw/zinc/10/89/25/327108925.db2.gz PIOPMKNABYHFMG-UHFFFAOYSA-N 1 2 360.849 2.387 10 0 FEAELO Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000171288301 327129700 /nfs/dbraw/zinc/12/97/00/327129700.db2.gz VLLZIWMNEQGULF-MRXNPFEDSA-N 1 2 374.510 2.028 10 0 FEAELO Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000171288301 327129701 /nfs/dbraw/zinc/12/97/01/327129701.db2.gz 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O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccccc1OC(F)F ZINC000171704941 327156442 /nfs/dbraw/zinc/15/64/42/327156442.db2.gz HDZZDVGMSSUIJN-GFCCVEGCSA-N 1 2 351.357 2.155 10 0 FEAELO Cc1cccc2[nH+]c(CNC(=O)N3CCC(c4ccnn4C)CC3)cn21 ZINC000172587306 327209701 /nfs/dbraw/zinc/20/97/01/327209701.db2.gz FZMVFLANPIZQON-UHFFFAOYSA-N 1 2 352.442 2.465 10 0 FEAELO C[C@@H](NC(=O)N[C@@H](C)CN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173164921 327238454 /nfs/dbraw/zinc/23/84/54/327238454.db2.gz CIHYIZPEOCYECN-LSDHHAIUSA-N 1 2 355.442 2.243 10 0 FEAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C)c2Cl)C[C@@H]1C ZINC000173175508 327239118 /nfs/dbraw/zinc/23/91/18/327239118.db2.gz JZCSJBPUOFBXDK-AWEZNQCLSA-N 1 2 367.877 2.156 10 0 FEAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C)c2Cl)C[C@@H]1C ZINC000173175508 327239120 /nfs/dbraw/zinc/23/91/20/327239120.db2.gz JZCSJBPUOFBXDK-AWEZNQCLSA-N 1 2 367.877 2.156 10 0 FEAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCCc2ccccc2C)nc[nH+]1 ZINC000173289676 327247398 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CC(C)Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000176990964 327489042 /nfs/dbraw/zinc/48/90/42/327489042.db2.gz GWLAEPZLBMLICB-APWZRJJASA-N 1 2 366.527 2.226 10 0 FEAELO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCCn2ncnc21)c1cccc(F)c1 ZINC000177382105 327518096 /nfs/dbraw/zinc/51/80/96/327518096.db2.gz GSUJWTZZEDITMC-CABCVRRESA-N 1 2 369.404 2.074 10 0 FEAELO O=C(CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)N1CCCc2ccccc21 ZINC000177447955 327522956 /nfs/dbraw/zinc/52/29/56/327522956.db2.gz JYWHXLWMHJNEHP-QGZVFWFLSA-N 1 2 367.453 2.037 10 0 FEAELO CCn1cc[nH+]c1CS(=O)(=O)c1nncn1-c1cccc(Cl)c1 ZINC000177511236 327527395 /nfs/dbraw/zinc/52/73/95/327527395.db2.gz NGANGUMBESQRPX-UHFFFAOYSA-N 1 2 351.819 2.111 10 0 FEAELO COC[C@H](C)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178711796 327601885 /nfs/dbraw/zinc/60/18/85/327601885.db2.gz RTTAXPMBSHGNQD-HIFRSBDPSA-N 1 2 355.504 2.012 10 0 FEAELO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248546797 328724754 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FEAELO Cc1cc(C)c(NC(=O)C[NH+]2CCC[C@H]([N@@H+](C)CC(=O)[O-])CC2)c(C)c1 ZINC000262471346 549822383 /nfs/dbraw/zinc/82/23/83/549822383.db2.gz CCUWCXQXJGPXPP-KRWDZBQOSA-N 1 2 361.486 2.421 10 0 FEAELO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c(C)c1 ZINC000262471346 549822384 /nfs/dbraw/zinc/82/23/84/549822384.db2.gz CCUWCXQXJGPXPP-KRWDZBQOSA-N 1 2 361.486 2.421 10 0 FEAELO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([NH+](C)CC(=O)[O-])CC2)c(C)c1 ZINC000262471346 549822385 /nfs/dbraw/zinc/82/23/85/549822385.db2.gz CCUWCXQXJGPXPP-KRWDZBQOSA-N 1 2 361.486 2.421 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCC[C@@H]([C@H](O)c4nccn4C)C3)nc[nH+]2)C1 ZINC000269410351 550192243 /nfs/dbraw/zinc/19/22/43/550192243.db2.gz YZVRTZBYQFZIAY-MDZRGWNJSA-N 1 2 370.501 2.396 10 0 FEAELO C[C@@H]1CCCN(c2cc(N3CCC[C@@H]([C@H](O)c4nccn4C)C3)[nH+]cn2)C1 ZINC000269410351 550192245 /nfs/dbraw/zinc/19/22/45/550192245.db2.gz YZVRTZBYQFZIAY-MDZRGWNJSA-N 1 2 370.501 2.396 10 0 FEAELO C[C@H]1Cc2ccccc2N1CCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301248136 553634896 /nfs/dbraw/zinc/63/48/96/553634896.db2.gz OWGFTGLXEBDVFW-RDJZCZTQSA-N 1 2 353.470 2.301 10 0 FEAELO C[C@H]1Cc2ccccc2N1CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301248136 553634899 /nfs/dbraw/zinc/63/48/99/553634899.db2.gz OWGFTGLXEBDVFW-RDJZCZTQSA-N 1 2 353.470 2.301 10 0 FEAELO O[C@@H](CNc1ccnc2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000301707673 553673610 /nfs/dbraw/zinc/67/36/10/553673610.db2.gz CERWGKGDSZYEQZ-LBPRGKRZSA-N 1 2 366.259 2.102 10 0 FEAELO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)Cc1nnc(C2CC2)[nH]1 ZINC000328603105 553795084 /nfs/dbraw/zinc/79/50/84/553795084.db2.gz DTJQATODRIEIKT-KBPBESRZSA-N 1 2 364.494 2.491 10 0 FEAELO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)Cc1nnc(C2CC2)[nH]1 ZINC000328603105 553795087 /nfs/dbraw/zinc/79/50/87/553795087.db2.gz DTJQATODRIEIKT-KBPBESRZSA-N 1 2 364.494 2.491 10 0 FEAELO COc1ccc(Cl)cc1Nc1nc(NCCO)[nH+]c(N2CCCC2)n1 ZINC000004400045 581100262 /nfs/dbraw/zinc/10/02/62/581100262.db2.gz AQYDNGDNBIIYOX-UHFFFAOYSA-N 1 2 364.837 2.282 10 0 FEAELO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)c1 ZINC000106223215 670810215 /nfs/dbraw/zinc/81/02/15/670810215.db2.gz RWSKWXDMSNYIGR-QWHCGFSZSA-N 1 2 361.471 2.016 10 0 FEAELO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)c1 ZINC000106223215 670810225 /nfs/dbraw/zinc/81/02/25/670810225.db2.gz RWSKWXDMSNYIGR-QWHCGFSZSA-N 1 2 361.471 2.016 10 0 FEAELO COCC[N@@H+]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1C ZINC000110560207 670849791 /nfs/dbraw/zinc/84/97/91/670849791.db2.gz PUZYLNWTKAXFOP-GFCCVEGCSA-N 1 2 366.405 2.137 10 0 FEAELO COCC[N@H+]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1C ZINC000110560207 670849794 /nfs/dbraw/zinc/84/97/94/670849794.db2.gz PUZYLNWTKAXFOP-GFCCVEGCSA-N 1 2 366.405 2.137 10 0 FEAELO Cc1nc(Br)ccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181337740 672425436 /nfs/dbraw/zinc/42/54/36/672425436.db2.gz IUCIRNQFBKBGCD-GFCCVEGCSA-N 1 2 369.263 2.091 10 0 FEAELO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245569328 672821215 /nfs/dbraw/zinc/82/12/15/672821215.db2.gz YMSHAPDOGDLIHV-KGLIPLIRSA-N 1 2 356.413 2.091 10 0 FEAELO CCOc1ccccc1C(F)(F)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245569328 672821219 /nfs/dbraw/zinc/82/12/19/672821219.db2.gz YMSHAPDOGDLIHV-KGLIPLIRSA-N 1 2 356.413 2.091 10 0 FEAELO C[C@@H]1CN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000247855805 672853162 /nfs/dbraw/zinc/85/31/62/672853162.db2.gz XZUIRJGACHZJMV-LYRGGWFBSA-N 1 2 373.280 2.206 10 0 FEAELO