smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc3c(n2)CCNC3)CC1 ZINC001164823943 720302131 /nfs/dbraw/zinc/30/21/31/720302131.db2.gz QUCHCAPYUMEXAK-OALUTQOASA-N 1 3 384.528 1.034 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CCNC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164742091 720816624 /nfs/dbraw/zinc/81/66/24/720816624.db2.gz PTCRASUOCGQBKZ-KPFFTGBYSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CCNC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164742091 720816625 /nfs/dbraw/zinc/81/66/25/720816625.db2.gz PTCRASUOCGQBKZ-KPFFTGBYSA-N 1 3 394.527 1.093 20 0 GDADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C[NH+](C)C)ccn4)C3)O2)CC1 ZINC001164888692 721442490 /nfs/dbraw/zinc/44/24/90/721442490.db2.gz AKMXLGDSLCMLNL-RBBKRZOGSA-N 1 3 387.572 1.909 20 0 GDADHO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294127 946124761 /nfs/dbraw/zinc/12/47/61/946124761.db2.gz BGNGLWLAVNBMSQ-HIFRSBDPSA-N 1 3 389.529 1.351 20 0 GDADHO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294127 946124768 /nfs/dbraw/zinc/12/47/68/946124768.db2.gz BGNGLWLAVNBMSQ-HIFRSBDPSA-N 1 3 389.529 1.351 20 0 GDADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573787549 949183709 /nfs/dbraw/zinc/18/37/09/949183709.db2.gz WDYUQPYQCFYOOR-IYBDPMFKSA-N 1 3 383.500 1.478 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575905791 950304783 /nfs/dbraw/zinc/30/47/83/950304783.db2.gz FMZSIWMQTXRZEG-OCCSQVGLSA-N 1 3 375.502 1.103 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908328 950360840 /nfs/dbraw/zinc/36/08/40/950360840.db2.gz UQSMMAMSHDESLX-CXAGYDPISA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908328 950360860 /nfs/dbraw/zinc/36/08/60/950360860.db2.gz UQSMMAMSHDESLX-CXAGYDPISA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911245 950442254 /nfs/dbraw/zinc/44/22/54/950442254.db2.gz OEMBREBFYHUDMG-RHSMWYFYSA-N 1 3 381.484 1.042 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911245 950442264 /nfs/dbraw/zinc/44/22/64/950442264.db2.gz OEMBREBFYHUDMG-RHSMWYFYSA-N 1 3 381.484 1.042 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911244 950442460 /nfs/dbraw/zinc/44/24/60/950442460.db2.gz OEMBREBFYHUDMG-PBHICJAKSA-N 1 3 381.484 1.042 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911244 950442482 /nfs/dbraw/zinc/44/24/82/950442482.db2.gz OEMBREBFYHUDMG-PBHICJAKSA-N 1 3 381.484 1.042 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574522512 950793801 /nfs/dbraw/zinc/79/38/01/950793801.db2.gz JVBZGDWULZIGJU-OLZOCXBDSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574522512 950793813 /nfs/dbraw/zinc/79/38/13/950793813.db2.gz JVBZGDWULZIGJU-OLZOCXBDSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101282 951855966 /nfs/dbraw/zinc/85/59/66/951855966.db2.gz BKDMGLMNDUTBQS-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101282 951855971 /nfs/dbraw/zinc/85/59/71/951855971.db2.gz BKDMGLMNDUTBQS-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101282 951855977 /nfs/dbraw/zinc/85/59/77/951855977.db2.gz BKDMGLMNDUTBQS-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101282 951855981 /nfs/dbraw/zinc/85/59/81/951855981.db2.gz BKDMGLMNDUTBQS-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575107682 951920698 /nfs/dbraw/zinc/92/06/98/951920698.db2.gz HSJZTLSMUFCVFG-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575107682 951920702 /nfs/dbraw/zinc/92/07/02/951920702.db2.gz HSJZTLSMUFCVFG-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234681 953204855 /nfs/dbraw/zinc/20/48/55/953204855.db2.gz FTVZRIDXHQENAK-IRXDYDNUSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234681 953204860 /nfs/dbraw/zinc/20/48/60/953204860.db2.gz FTVZRIDXHQENAK-IRXDYDNUSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234681 953204865 /nfs/dbraw/zinc/20/48/65/953204865.db2.gz FTVZRIDXHQENAK-IRXDYDNUSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234681 953204868 /nfs/dbraw/zinc/20/48/68/953204868.db2.gz FTVZRIDXHQENAK-IRXDYDNUSA-N 1 3 383.500 1.147 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571234880 953206063 /nfs/dbraw/zinc/20/60/63/953206063.db2.gz LLDLCLOJEHIHNQ-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571234880 953206067 /nfs/dbraw/zinc/20/60/67/953206067.db2.gz LLDLCLOJEHIHNQ-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571234880 953206070 /nfs/dbraw/zinc/20/60/70/953206070.db2.gz LLDLCLOJEHIHNQ-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571234880 953206075 /nfs/dbraw/zinc/20/60/75/953206075.db2.gz LLDLCLOJEHIHNQ-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO COc1ccc(Br)cc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357901 531410257 /nfs/dbraw/zinc/41/02/57/531410257.db2.gz MNBLIKIDMYFCAX-UHFFFAOYSA-N 1 3 386.334 1.952 20 0 GDADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000414755634 531462873 /nfs/dbraw/zinc/46/28/73/531462873.db2.gz HXNLKGPHYFEIHE-OAHLLOKOSA-N 1 3 384.318 1.441 20 0 GDADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000414755634 531462878 /nfs/dbraw/zinc/46/28/78/531462878.db2.gz HXNLKGPHYFEIHE-OAHLLOKOSA-N 1 3 384.318 1.441 20 0 GDADHO FC(F)(F)CCN1CCC(NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414993912 531464512 /nfs/dbraw/zinc/46/45/12/531464512.db2.gz UVPJMPDOFNRUBC-CYBMUJFWSA-N 1 3 376.389 1.829 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000559913114 531612548 /nfs/dbraw/zinc/61/25/48/531612548.db2.gz DIZQQDFIUNYVDN-AWEZNQCLSA-N 1 3 385.350 1.615 20 0 GDADHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735856976 598521282 /nfs/dbraw/zinc/52/12/82/598521282.db2.gz NEZWYAAOSMGYMT-OAHLLOKOSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735856976 598521284 /nfs/dbraw/zinc/52/12/84/598521284.db2.gz NEZWYAAOSMGYMT-OAHLLOKOSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735856976 598521286 /nfs/dbraw/zinc/52/12/86/598521286.db2.gz NEZWYAAOSMGYMT-OAHLLOKOSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735856976 598521287 /nfs/dbraw/zinc/52/12/87/598521287.db2.gz NEZWYAAOSMGYMT-OAHLLOKOSA-N 1 3 395.515 1.735 20 0 GDADHO c1cc(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(-c2nn[n-]n2)c1 ZINC000823761997 599684913 /nfs/dbraw/zinc/68/49/13/599684913.db2.gz DEFICTOWBGOWCP-UHFFFAOYSA-N 1 3 386.500 1.822 20 0 GDADHO COc1cc(CNCCOCCC[NH3+])cc(I)c1OC ZINC000600775200 652553247 /nfs/dbraw/zinc/55/32/47/652553247.db2.gz LQOVAIJUYJFSMD-UHFFFAOYSA-N 1 3 394.253 1.763 20 0 GDADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000863749963 655879742 /nfs/dbraw/zinc/87/97/42/655879742.db2.gz HIRIAGZEYWXBKO-CYBMUJFWSA-N 1 3 399.333 1.145 20 0 GDADHO COCCN(C[C@@H](O)c1cc(Br)no1)CC1CC[NH+](C)CC1 ZINC000879127530 656776654 /nfs/dbraw/zinc/77/66/54/656776654.db2.gz YBCSVVLOWUMCKP-CYBMUJFWSA-N 1 3 376.295 1.761 20 0 GDADHO C[NH+]1CCN(c2cccc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)n2)CC1 ZINC001164782343 721417253 /nfs/dbraw/zinc/41/72/53/721417253.db2.gz FSNUAHDSMNKDQX-CALCHBBNSA-N 1 3 384.553 1.858 20 0 GDADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164899162 721510397 /nfs/dbraw/zinc/51/03/97/721510397.db2.gz KPIYWRIOWOAXGZ-AEFFLSMTSA-N 1 3 383.471 1.646 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+](C)C ZINC001575902311 950253412 /nfs/dbraw/zinc/25/34/12/950253412.db2.gz UOZFIWCIBNJQOY-GUYCJALGSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+](C)C ZINC001575902311 950253430 /nfs/dbraw/zinc/25/34/30/950253430.db2.gz UOZFIWCIBNJQOY-GUYCJALGSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576228693 950953610 /nfs/dbraw/zinc/95/36/10/950953610.db2.gz IKIZFINDVYSWNF-RHSMWYFYSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576228693 950953629 /nfs/dbraw/zinc/95/36/29/950953629.db2.gz IKIZFINDVYSWNF-RHSMWYFYSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077338 951666100 /nfs/dbraw/zinc/66/61/00/951666100.db2.gz FXHVBHRLCXKQFJ-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077338 951666107 /nfs/dbraw/zinc/66/61/07/951666107.db2.gz FXHVBHRLCXKQFJ-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn2cc(Br)cnc12 ZINC000094121998 530815750 /nfs/dbraw/zinc/81/57/50/530815750.db2.gz GZDRSLNMPPWJCC-UHFFFAOYSA-N 1 3 383.294 1.057 20 0 GDADHO Cc1ccc(Br)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130539132 531061914 /nfs/dbraw/zinc/06/19/14/531061914.db2.gz USIYLNHTBDKBOR-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO N[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000662571374 531690538 /nfs/dbraw/zinc/69/05/38/531690538.db2.gz NBRANEIOKTWQEX-MQBCKMQZSA-N 1 3 395.345 1.782 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1n[nH]cc1Br ZINC000664175577 531720519 /nfs/dbraw/zinc/72/05/19/531720519.db2.gz ANKJEVVUZCYGHY-NSHDSACASA-N 1 3 375.315 1.243 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1n[nH]cc1Br ZINC000664175577 531720526 /nfs/dbraw/zinc/72/05/26/531720526.db2.gz ANKJEVVUZCYGHY-NSHDSACASA-N 1 3 375.315 1.243 20 0 GDADHO COc1cc(CN(C)CCOCC[NH3+])cc(I)c1OC ZINC000600770842 652553213 /nfs/dbraw/zinc/55/32/13/652553213.db2.gz CKWHJXOLXVXUII-UHFFFAOYSA-N 1 3 394.253 1.716 20 0 GDADHO O=C(NCCCNC[C@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000629559482 653172020 /nfs/dbraw/zinc/17/20/20/653172020.db2.gz SOXTVEYFHVGKDA-INIZCTEOSA-N 1 3 384.318 1.615 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000664730981 654390354 /nfs/dbraw/zinc/39/03/54/654390354.db2.gz RTYIUYFYBKRWLF-ZDUSSCGKSA-N 1 3 390.575 1.223 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000664730981 654390359 /nfs/dbraw/zinc/39/03/59/654390359.db2.gz RTYIUYFYBKRWLF-ZDUSSCGKSA-N 1 3 390.575 1.223 20 0 GDADHO COc1cc([C@@H](C)NCCN2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000817943602 655362766 /nfs/dbraw/zinc/36/27/66/655362766.db2.gz PKMVAXIKQDLQCH-GFCCVEGCSA-N 1 3 377.457 1.247 20 0 GDADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H]1C[NH+](C)C ZINC000870016689 656214257 /nfs/dbraw/zinc/21/42/57/656214257.db2.gz URXSIHRGGFPIIP-ZIAGYGMSSA-N 1 3 384.318 1.966 20 0 GDADHO C[C@@H](CNC(=O)[C@H](N)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000870897015 656253928 /nfs/dbraw/zinc/25/39/28/656253928.db2.gz YICISVIGQVOUBX-XJKSGUPXSA-N 1 3 383.334 1.449 20 0 GDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1sc(N2CCOCC2)nc1Cl ZINC000895235176 658677509 /nfs/dbraw/zinc/67/75/09/658677509.db2.gz IUPXVGDNAACCCZ-AWEZNQCLSA-N 1 3 389.997 1.995 20 0 GDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(c3ncc(I)cn3)CC2)C1 ZINC000903477239 659316253 /nfs/dbraw/zinc/31/62/53/659316253.db2.gz WAJBMUJGPNDBLH-WCQYABFASA-N 1 3 387.269 1.331 20 0 GDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905152379 659427199 /nfs/dbraw/zinc/42/71/99/659427199.db2.gz CDJLVEACTAFKOK-ARFHVFGLSA-N 1 3 375.579 1.450 20 0 GDADHO COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@@H]2C1 ZINC001164854274 720836772 /nfs/dbraw/zinc/83/67/72/720836772.db2.gz QYMFQYRHEQLZGB-MSOLQXFVSA-N 1 3 375.517 1.559 20 0 GDADHO COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@@H]2C1 ZINC001164854274 720836773 /nfs/dbraw/zinc/83/67/73/720836773.db2.gz QYMFQYRHEQLZGB-MSOLQXFVSA-N 1 3 375.517 1.559 20 0 GDADHO C[NH+]1CCN(c2cccc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)n2)CC1 ZINC001164782345 721417029 /nfs/dbraw/zinc/41/70/29/721417029.db2.gz FSNUAHDSMNKDQX-IAGOWNOFSA-N 1 3 384.553 1.858 20 0 GDADHO c1cncc(CN2CCO[C@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980824 722103713 /nfs/dbraw/zinc/10/37/13/722103713.db2.gz KNEBZSMBGHNOEP-CTNGQTDRSA-N 1 3 379.508 1.850 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521033 950764875 /nfs/dbraw/zinc/76/48/75/950764875.db2.gz COCNKHFVDUZTCL-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521033 950764891 /nfs/dbraw/zinc/76/48/91/950764891.db2.gz COCNKHFVDUZTCL-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574523473 950820586 /nfs/dbraw/zinc/82/05/86/950820586.db2.gz NWGUFBWTYFTSAC-STQMWFEESA-N 1 3 391.545 1.785 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523473 950820612 /nfs/dbraw/zinc/82/06/12/950820612.db2.gz NWGUFBWTYFTSAC-STQMWFEESA-N 1 3 391.545 1.785 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079908 951699073 /nfs/dbraw/zinc/69/90/73/951699073.db2.gz STYUODKUDNBUCR-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079908 951699080 /nfs/dbraw/zinc/69/90/80/951699080.db2.gz STYUODKUDNBUCR-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079908 951699085 /nfs/dbraw/zinc/69/90/85/951699085.db2.gz STYUODKUDNBUCR-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079908 951699092 /nfs/dbraw/zinc/69/90/92/951699092.db2.gz STYUODKUDNBUCR-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575091244 951771253 /nfs/dbraw/zinc/77/12/53/951771253.db2.gz OXGCUFULONHYGH-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571234949 953206974 /nfs/dbraw/zinc/20/69/74/953206974.db2.gz NOHKEYJATPAKDA-XDKFSHSGSA-N 1 3 383.500 1.334 20 0 GDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571234949 953206976 /nfs/dbraw/zinc/20/69/76/953206976.db2.gz NOHKEYJATPAKDA-XDKFSHSGSA-N 1 3 383.500 1.334 20 0 GDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571234949 953206977 /nfs/dbraw/zinc/20/69/77/953206977.db2.gz NOHKEYJATPAKDA-XDKFSHSGSA-N 1 3 383.500 1.334 20 0 GDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571234949 953206979 /nfs/dbraw/zinc/20/69/79/953206979.db2.gz NOHKEYJATPAKDA-XDKFSHSGSA-N 1 3 383.500 1.334 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000130605912 531063172 /nfs/dbraw/zinc/06/31/72/531063172.db2.gz RRPLFBWFCAUAHN-UHFFFAOYSA-N 1 3 385.306 1.339 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000130605674 531063296 /nfs/dbraw/zinc/06/32/96/531063296.db2.gz VRTFCYFLISNJCA-UHFFFAOYSA-N 1 3 385.306 1.339 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000551767620 531546691 /nfs/dbraw/zinc/54/66/91/531546691.db2.gz CPHNJYPBKHHLED-UHFFFAOYSA-N 1 3 381.424 1.052 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000451283586 531583919 /nfs/dbraw/zinc/58/39/19/531583919.db2.gz NSAXTQCIVSRTRO-QWHCGFSZSA-N 1 3 388.452 1.864 20 0 GDADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000583837849 531598322 /nfs/dbraw/zinc/59/83/22/531598322.db2.gz FPULXDKWWFPGIZ-OKILXGFUSA-N 1 3 389.949 1.966 20 0 GDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422883764 532069855 /nfs/dbraw/zinc/06/98/55/532069855.db2.gz VNAKETIROYBWFT-APHBMKBZSA-N 1 3 384.318 1.911 20 0 GDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422864415 532067878 /nfs/dbraw/zinc/06/78/78/532067878.db2.gz VAKDYZRFHKJQIF-APHBMKBZSA-N 1 3 384.318 1.911 20 0 GDADHO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CC[C@H](C[NH3+])C2)c1 ZINC000430964254 532258034 /nfs/dbraw/zinc/25/80/34/532258034.db2.gz YHJIKVIUDLFRQU-GFCCVEGCSA-N 1 3 388.921 1.200 20 0 GDADHO CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736530834 598520008 /nfs/dbraw/zinc/52/00/08/598520008.db2.gz NEHFQQAWWAUFKT-QGZVFWFLSA-N 1 3 395.515 1.737 20 0 GDADHO CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736530834 598520009 /nfs/dbraw/zinc/52/00/09/598520009.db2.gz NEHFQQAWWAUFKT-QGZVFWFLSA-N 1 3 395.515 1.737 20 0 GDADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1-c1nnn[n-]1 ZINC000826077148 608021237 /nfs/dbraw/zinc/02/12/37/608021237.db2.gz BIPCAFXHMGJWOL-AWEZNQCLSA-N 1 3 387.492 1.087 20 0 GDADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1-c1nnn[n-]1 ZINC000826077148 608021238 /nfs/dbraw/zinc/02/12/38/608021238.db2.gz BIPCAFXHMGJWOL-AWEZNQCLSA-N 1 3 387.492 1.087 20 0 GDADHO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825577469 609341111 /nfs/dbraw/zinc/34/11/11/609341111.db2.gz XBPNDJINUXRCDH-SFHVURJKSA-N 1 3 398.515 1.714 20 0 GDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662494071 654297172 /nfs/dbraw/zinc/29/71/72/654297172.db2.gz VQXRIECLHLZYGQ-YOEHRIQHSA-N 1 3 397.361 1.839 20 0 GDADHO C[C@@H](CNC(=O)[C@@H](N)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000870897012 656253992 /nfs/dbraw/zinc/25/39/92/656253992.db2.gz YICISVIGQVOUBX-BBRMVZONSA-N 1 3 383.334 1.449 20 0 GDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905152831 659427222 /nfs/dbraw/zinc/42/72/22/659427222.db2.gz CDJLVEACTAFKOK-XHSDSOJGSA-N 1 3 375.579 1.450 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)CCNC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164742092 720816767 /nfs/dbraw/zinc/81/67/67/720816767.db2.gz PTCRASUOCGQBKZ-QRFRQXIXSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)CCNC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164742092 720816769 /nfs/dbraw/zinc/81/67/69/720816769.db2.gz PTCRASUOCGQBKZ-QRFRQXIXSA-N 1 3 394.527 1.093 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918178 948835719 /nfs/dbraw/zinc/83/57/19/948835719.db2.gz GWALFOPQTJEIJI-AWEZNQCLSA-N 1 3 389.479 1.476 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574918178 948835735 /nfs/dbraw/zinc/83/57/35/948835735.db2.gz GWALFOPQTJEIJI-AWEZNQCLSA-N 1 3 389.479 1.476 20 0 GDADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574703168 949314997 /nfs/dbraw/zinc/31/49/97/949314997.db2.gz SHSYMKXBLZJVQR-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574703556 949340001 /nfs/dbraw/zinc/34/00/01/949340001.db2.gz WHHFCQBRFKFINW-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574703556 949340024 /nfs/dbraw/zinc/34/00/24/949340024.db2.gz WHHFCQBRFKFINW-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711144 949527931 /nfs/dbraw/zinc/52/79/31/949527931.db2.gz DQIDBZOLXRUIBF-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711144 949527943 /nfs/dbraw/zinc/52/79/43/949527943.db2.gz DQIDBZOLXRUIBF-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908331 950360034 /nfs/dbraw/zinc/36/00/34/950360034.db2.gz UQSMMAMSHDESLX-SUMWQHHRSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908331 950360052 /nfs/dbraw/zinc/36/00/52/950360052.db2.gz UQSMMAMSHDESLX-SUMWQHHRSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574522219 950792620 /nfs/dbraw/zinc/79/26/20/950792620.db2.gz JODBBKZVMLNERP-STQMWFEESA-N 1 3 377.468 1.330 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CC[NH+](C)C ZINC001574522219 950792635 /nfs/dbraw/zinc/79/26/35/950792635.db2.gz JODBBKZVMLNERP-STQMWFEESA-N 1 3 377.468 1.330 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079366 951690846 /nfs/dbraw/zinc/69/08/46/951690846.db2.gz DCDBDUXNAXMSBZ-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079366 951690853 /nfs/dbraw/zinc/69/08/53/951690853.db2.gz DCDBDUXNAXMSBZ-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079366 951690858 /nfs/dbraw/zinc/69/08/58/951690858.db2.gz DCDBDUXNAXMSBZ-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079366 951690863 /nfs/dbraw/zinc/69/08/63/951690863.db2.gz DCDBDUXNAXMSBZ-UKRRQHHQSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575091645 951780583 /nfs/dbraw/zinc/78/05/83/951780583.db2.gz TUMZPBIJUJNCTO-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575091645 951780587 /nfs/dbraw/zinc/78/05/87/951780587.db2.gz TUMZPBIJUJNCTO-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC001550423597 1126206593 /nfs/dbraw/zinc/20/65/93/1126206593.db2.gz PFYAWTYBYSFWMS-ZMMAXQRCSA-N 1 3 380.558 1.549 20 0 GDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC001550423597 1126206595 /nfs/dbraw/zinc/20/65/95/1126206595.db2.gz PFYAWTYBYSFWMS-ZMMAXQRCSA-N 1 3 380.558 1.549 20 0 GDADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419793701 531971120 /nfs/dbraw/zinc/97/11/20/531971120.db2.gz JPEDMAGESPSVSE-LBPRGKRZSA-N 1 3 390.347 1.918 20 0 GDADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419793701 531971133 /nfs/dbraw/zinc/97/11/33/531971133.db2.gz JPEDMAGESPSVSE-LBPRGKRZSA-N 1 3 390.347 1.918 20 0 GDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423104363 532072063 /nfs/dbraw/zinc/07/20/63/532072063.db2.gz LYVWZDVWMQGBHJ-VXGBXAGGSA-N 1 3 378.336 1.833 20 0 GDADHO C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273301792 532143919 /nfs/dbraw/zinc/14/39/19/532143919.db2.gz UYZOADZQZUNDDJ-IYPVNNRCSA-N 1 3 389.587 1.334 20 0 GDADHO C[C@H](C[NH+]1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045287 650304239 /nfs/dbraw/zinc/30/42/39/650304239.db2.gz LOEPPWGATJBDMS-BRWVUGGUSA-N 1 3 376.563 1.257 20 0 GDADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Br)cn1 ZINC000517867574 648579741 /nfs/dbraw/zinc/57/97/41/648579741.db2.gz AKOWTQGNHXZCKZ-HNNXBMFYSA-N 1 3 385.350 1.885 20 0 GDADHO C[C@H](NCCOCCC[NH3+])c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629540845 653170913 /nfs/dbraw/zinc/17/09/13/653170913.db2.gz XPUHPQIRBIOJNI-JTQLQIEISA-N 1 3 380.308 1.113 20 0 GDADHO C[C@H]([NH2+]CCCN(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764518403 655217804 /nfs/dbraw/zinc/21/78/04/655217804.db2.gz BMQRNFJXAOIZHI-ZDUSSCGKSA-N 1 3 377.532 1.015 20 0 GDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@H](O)c1cccc(Br)c1)C2 ZINC000923429119 656551796 /nfs/dbraw/zinc/55/17/96/656551796.db2.gz PQMPYEBXDLGOAE-CRNXPOROSA-N 1 3 383.286 1.695 20 0 GDADHO [NH3+][C@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227838 657337661 /nfs/dbraw/zinc/33/76/61/657337661.db2.gz ZEURQKOBHSMRCM-BBRMVZONSA-N 1 3 382.302 1.630 20 0 GDADHO C[N@H+](Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745854 720776085 /nfs/dbraw/zinc/77/60/85/720776085.db2.gz WARLYKWSZOXCKI-RTBURBONSA-N 1 3 380.496 1.808 20 0 GDADHO C[N@@H+](Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745854 720776092 /nfs/dbraw/zinc/77/60/92/720776092.db2.gz WARLYKWSZOXCKI-RTBURBONSA-N 1 3 380.496 1.808 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271369 949620824 /nfs/dbraw/zinc/62/08/24/949620824.db2.gz JWMKPICFWLPRLV-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271369 949620836 /nfs/dbraw/zinc/62/08/36/949620836.db2.gz JWMKPICFWLPRLV-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271369 949620846 /nfs/dbraw/zinc/62/08/46/949620846.db2.gz JWMKPICFWLPRLV-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271369 949620861 /nfs/dbraw/zinc/62/08/61/949620861.db2.gz JWMKPICFWLPRLV-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574150637 950034709 /nfs/dbraw/zinc/03/47/09/950034709.db2.gz CVVAVAAOWKBUBD-MSOLQXFVSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150637 950034728 /nfs/dbraw/zinc/03/47/28/950034728.db2.gz CVVAVAAOWKBUBD-MSOLQXFVSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CC[NH+](C)C ZINC001575907545 950332445 /nfs/dbraw/zinc/33/24/45/950332445.db2.gz OYROBHZLFQIPES-LRDDRELGSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575109256 951929843 /nfs/dbraw/zinc/92/98/43/951929843.db2.gz QMDRJURMQLCOAX-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575109256 951929848 /nfs/dbraw/zinc/92/98/48/951929848.db2.gz QMDRJURMQLCOAX-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571235192 953209223 /nfs/dbraw/zinc/20/92/23/953209223.db2.gz WMRSRPQQSYNFQN-INIZCTEOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571235192 953209226 /nfs/dbraw/zinc/20/92/26/953209226.db2.gz WMRSRPQQSYNFQN-INIZCTEOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571235192 953209228 /nfs/dbraw/zinc/20/92/28/953209228.db2.gz WMRSRPQQSYNFQN-INIZCTEOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571235192 953209230 /nfs/dbraw/zinc/20/92/30/953209230.db2.gz WMRSRPQQSYNFQN-INIZCTEOSA-N 1 3 383.500 1.289 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000414125049 531431720 /nfs/dbraw/zinc/43/17/20/531431720.db2.gz PXYMRYMLSZMVRW-HOCLYGCPSA-N 1 3 386.334 1.682 20 0 GDADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCCCC[NH3+] ZINC000419848707 531978127 /nfs/dbraw/zinc/97/81/27/531978127.db2.gz WPFIOEBENBNLCD-UHFFFAOYSA-N 1 3 399.333 1.194 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000736145159 598356991 /nfs/dbraw/zinc/35/69/91/598356991.db2.gz BOYWVLIJGAPTCO-OAHLLOKOSA-N 1 3 383.500 1.644 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000736145159 598356992 /nfs/dbraw/zinc/35/69/92/598356992.db2.gz BOYWVLIJGAPTCO-OAHLLOKOSA-N 1 3 383.500 1.644 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000736145159 598356996 /nfs/dbraw/zinc/35/69/96/598356996.db2.gz BOYWVLIJGAPTCO-OAHLLOKOSA-N 1 3 383.500 1.644 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000736145159 598356997 /nfs/dbraw/zinc/35/69/97/598356997.db2.gz BOYWVLIJGAPTCO-OAHLLOKOSA-N 1 3 383.500 1.644 20 0 GDADHO CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819922300 606205252 /nfs/dbraw/zinc/20/52/52/606205252.db2.gz JPYOTMQOVQIYIY-UHFFFAOYSA-N 1 3 391.545 1.645 20 0 GDADHO C[C@@H](NCCCC[NH+]1CCN(CCO)CC1)c1ncc(Br)s1 ZINC000534495853 650222585 /nfs/dbraw/zinc/22/25/85/650222585.db2.gz VQAUNYZGNKVWOM-CYBMUJFWSA-N 1 3 391.379 1.946 20 0 GDADHO C[C@@H](Cn1cc(Br)cn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552279532 650622346 /nfs/dbraw/zinc/62/23/46/650622346.db2.gz QGBRNNYZMXKVCN-AWEZNQCLSA-N 1 3 386.338 1.616 20 0 GDADHO CC[C@H](NCCOCC[NH+](C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481998320 647890484 /nfs/dbraw/zinc/89/04/84/647890484.db2.gz KIBAVPCCSHXWBL-HNNXBMFYSA-N 1 3 377.938 1.867 20 0 GDADHO O=S(=O)(NCCCNC[C@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629578217 653175407 /nfs/dbraw/zinc/17/54/07/653175407.db2.gz OTDPSPKKYJDBHA-AWEZNQCLSA-N 1 3 375.922 1.055 20 0 GDADHO Ic1cnnn1C1CCN(CC2CC[NH2+]CC2)CC1 ZINC000849351712 655522527 /nfs/dbraw/zinc/52/25/27/655522527.db2.gz BVMHHAJUHHGWQW-UHFFFAOYSA-N 1 3 375.258 1.519 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000870856342 656250545 /nfs/dbraw/zinc/25/05/45/656250545.db2.gz VZLGOJKYBLQIAG-CVEARBPZSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000870856342 656250547 /nfs/dbraw/zinc/25/05/47/656250547.db2.gz VZLGOJKYBLQIAG-CVEARBPZSA-N 1 3 384.318 1.922 20 0 GDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925477968 656713760 /nfs/dbraw/zinc/71/37/60/656713760.db2.gz LBHXPICENGPXJQ-RDBSUJKOSA-N 1 3 383.480 1.914 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](N)c2ccc(Br)cc2)C1 ZINC000884180339 657333321 /nfs/dbraw/zinc/33/33/21/657333321.db2.gz VDFJPYXEYSGGPQ-CVEARBPZSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](N)c2ccc(Br)cc2)C1 ZINC000884180339 657333324 /nfs/dbraw/zinc/33/33/24/657333324.db2.gz VDFJPYXEYSGGPQ-CVEARBPZSA-N 1 3 384.318 1.922 20 0 GDADHO C[NH+](C)CCN1CCC(NCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894170332 658516269 /nfs/dbraw/zinc/51/62/69/658516269.db2.gz QVOTVHXDVPHWPQ-UHFFFAOYSA-N 1 3 387.981 1.749 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822037 720297051 /nfs/dbraw/zinc/29/70/51/720297051.db2.gz MLQKGAWZLJCWIP-QZTJIDSGSA-N 1 3 386.544 1.763 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748947 720813794 /nfs/dbraw/zinc/81/37/94/720813794.db2.gz SBLOGQKYDMYVEZ-GBESFXJTSA-N 1 3 396.543 1.822 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748947 720813795 /nfs/dbraw/zinc/81/37/95/720813795.db2.gz SBLOGQKYDMYVEZ-GBESFXJTSA-N 1 3 396.543 1.822 20 0 GDADHO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]2C1 ZINC001164859586 720871460 /nfs/dbraw/zinc/87/14/60/720871460.db2.gz UOWXOWJMBDYOIZ-KDOFPFPSSA-N 1 3 380.920 1.554 20 0 GDADHO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]2C1 ZINC001164859586 720871461 /nfs/dbraw/zinc/87/14/61/720871461.db2.gz UOWXOWJMBDYOIZ-KDOFPFPSSA-N 1 3 380.920 1.554 20 0 GDADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)CC1 ZINC001571283006 945874121 /nfs/dbraw/zinc/87/41/21/945874121.db2.gz XWHACOLCFWEOND-GASCZTMLSA-N 1 3 387.463 1.084 20 0 GDADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574713509 949603385 /nfs/dbraw/zinc/60/33/85/949603385.db2.gz XTBJPJACHFZOCN-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716857 949711362 /nfs/dbraw/zinc/71/13/62/949711362.db2.gz RLPHURBRZUGJRC-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716857 949711374 /nfs/dbraw/zinc/71/13/74/949711374.db2.gz RLPHURBRZUGJRC-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716857 949711389 /nfs/dbraw/zinc/71/13/89/949711389.db2.gz RLPHURBRZUGJRC-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716857 949711403 /nfs/dbraw/zinc/71/14/03/949711403.db2.gz RLPHURBRZUGJRC-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574520885 950758051 /nfs/dbraw/zinc/75/80/51/950758051.db2.gz ATHGVEDKUDRQND-GJZGRUSLSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574520885 950758071 /nfs/dbraw/zinc/75/80/71/950758071.db2.gz ATHGVEDKUDRQND-GJZGRUSLSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521739 950782855 /nfs/dbraw/zinc/78/28/55/950782855.db2.gz GUGBDOVOLRHAPF-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521739 950782871 /nfs/dbraw/zinc/78/28/71/950782871.db2.gz GUGBDOVOLRHAPF-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[NH+](C)C ZINC001575079816 951697546 /nfs/dbraw/zinc/69/75/46/951697546.db2.gz GMLCOVYFUPJRMM-GUYCJALGSA-N 1 3 391.495 1.434 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575096000 951817598 /nfs/dbraw/zinc/81/75/98/951817598.db2.gz YGDMLFKRSQFNOT-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104115 951882527 /nfs/dbraw/zinc/88/25/27/951882527.db2.gz BNPFEHPGOWRCRB-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104115 951882536 /nfs/dbraw/zinc/88/25/36/951882536.db2.gz BNPFEHPGOWRCRB-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104115 951882547 /nfs/dbraw/zinc/88/25/47/951882547.db2.gz BNPFEHPGOWRCRB-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104115 951882552 /nfs/dbraw/zinc/88/25/52/951882552.db2.gz BNPFEHPGOWRCRB-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104925 951889461 /nfs/dbraw/zinc/88/94/61/951889461.db2.gz HCQMPFALWRWOSJ-HNNXBMFYSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104925 951889468 /nfs/dbraw/zinc/88/94/68/951889468.db2.gz HCQMPFALWRWOSJ-HNNXBMFYSA-N 1 3 385.516 1.441 20 0 GDADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(N4CCOCC4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424024 1126207048 /nfs/dbraw/zinc/20/70/48/1126207048.db2.gz WWLMJSKGUUCQOJ-LXZJYRNTSA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(N4CCOCC4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424024 1126207051 /nfs/dbraw/zinc/20/70/51/1126207051.db2.gz WWLMJSKGUUCQOJ-LXZJYRNTSA-N 1 3 394.585 1.939 20 0 GDADHO COc1nc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)ncc1Br ZINC000414738833 531463298 /nfs/dbraw/zinc/46/32/98/531463298.db2.gz FLTZZKASUVIPRY-QWHCGFSZSA-N 1 3 384.322 1.758 20 0 GDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)COc2ccc(I)cc2)C1 ZINC000581736952 531514748 /nfs/dbraw/zinc/51/47/48/531514748.db2.gz PTPYYVAATCKSIM-MCIONIFRSA-N 1 3 390.265 1.890 20 0 GDADHO O[C@H](C[NH2+]CCOc1ccc(I)cc1)CN1CCCC1 ZINC000600740614 532052940 /nfs/dbraw/zinc/05/29/40/532052940.db2.gz JQTINIDHXXXVKY-CQSZACIVSA-N 1 3 390.265 1.716 20 0 GDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422883765 532069304 /nfs/dbraw/zinc/06/93/04/532069304.db2.gz VNAKETIROYBWFT-MAZHCROVSA-N 1 3 384.318 1.911 20 0 GDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000422905700 532068932 /nfs/dbraw/zinc/06/89/32/532068932.db2.gz ISZDCGAAZNSYRV-MRVWCRGKSA-N 1 3 376.238 1.500 20 0 GDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423101140 646114215 /nfs/dbraw/zinc/11/42/15/646114215.db2.gz IEPLRUMKZCFPPD-JSGCOSHPSA-N 1 3 390.347 1.835 20 0 GDADHO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN(C)CCC[NH3+])c1 ZINC000647849304 653636160 /nfs/dbraw/zinc/63/61/60/653636160.db2.gz ONMIOMQNJNVWDW-UHFFFAOYSA-N 1 3 376.910 1.200 20 0 GDADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000685326264 654817106 /nfs/dbraw/zinc/81/71/06/654817106.db2.gz VPCVAXMDDROEKN-OKILXGFUSA-N 1 3 389.949 1.966 20 0 GDADHO C[C@H]1C[C@H](CN2CCC(n3nncc3I)CC2)CC[NH2+]1 ZINC000849352910 655522508 /nfs/dbraw/zinc/52/25/08/655522508.db2.gz SFKYPWQRUITBQG-NWDGAFQWSA-N 1 3 389.285 1.908 20 0 GDADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000923484116 656555207 /nfs/dbraw/zinc/55/52/07/656555207.db2.gz VXZPLBXBVPGAJJ-CYBMUJFWSA-N 1 3 386.327 1.708 20 0 GDADHO Cn1cc(CNCCCC[NH+]2CCN(C)CC2)c(I)n1 ZINC000894172630 658516145 /nfs/dbraw/zinc/51/61/45/658516145.db2.gz CUDCJHGEHJGIGD-UHFFFAOYSA-N 1 3 391.301 1.142 20 0 GDADHO Cn1nc(Br)nc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000894211869 658522636 /nfs/dbraw/zinc/52/26/36/658522636.db2.gz VFPWDHQWDXVQAJ-UHFFFAOYSA-N 1 3 394.321 1.275 20 0 GDADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(CN(C)C)ccn1)C2 ZINC001164431726 718970864 /nfs/dbraw/zinc/97/08/64/718970864.db2.gz ASZMOTFRORCPBO-DLBZAZTESA-N 1 3 386.418 1.665 20 0 GDADHO COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164634345 719138681 /nfs/dbraw/zinc/13/86/81/719138681.db2.gz UPKOPJWYIGFERK-CQSZACIVSA-N 1 3 386.830 1.608 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574919173 948867575 /nfs/dbraw/zinc/86/75/75/948867575.db2.gz VPBLTLYPFHKVDH-INIZCTEOSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574919173 948867587 /nfs/dbraw/zinc/86/75/87/948867587.db2.gz VPBLTLYPFHKVDH-INIZCTEOSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576182085 950035004 /nfs/dbraw/zinc/03/50/04/950035004.db2.gz KZTZYOWBWQMONZ-MAUKXSAKSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576182085 950035027 /nfs/dbraw/zinc/03/50/27/950035027.db2.gz KZTZYOWBWQMONZ-MAUKXSAKSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575902878 950269832 /nfs/dbraw/zinc/26/98/32/950269832.db2.gz XPJQZMGJWYGRPB-MLGOLLRUSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575902878 950269852 /nfs/dbraw/zinc/26/98/52/950269852.db2.gz XPJQZMGJWYGRPB-MLGOLLRUSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907757 950341714 /nfs/dbraw/zinc/34/17/14/950341714.db2.gz QHBDEAZHLNXQMS-RHSMWYFYSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907757 950341736 /nfs/dbraw/zinc/34/17/36/950341736.db2.gz QHBDEAZHLNXQMS-RHSMWYFYSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574522216 950794324 /nfs/dbraw/zinc/79/43/24/950794324.db2.gz JODBBKZVMLNERP-CHWSQXEVSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CC[NH+](C)C ZINC001574522216 950794337 /nfs/dbraw/zinc/79/43/37/950794337.db2.gz JODBBKZVMLNERP-CHWSQXEVSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574522586 950796815 /nfs/dbraw/zinc/79/68/15/950796815.db2.gz KZKDPWCKJWPKLJ-LSDHHAIUSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574522586 950796828 /nfs/dbraw/zinc/79/68/28/950796828.db2.gz KZKDPWCKJWPKLJ-LSDHHAIUSA-N 1 3 383.500 1.335 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234685 953204278 /nfs/dbraw/zinc/20/42/78/953204278.db2.gz FUXXLGLTCRCNGV-HOTGVXAUSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234685 953204280 /nfs/dbraw/zinc/20/42/80/953204280.db2.gz FUXXLGLTCRCNGV-HOTGVXAUSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234685 953204283 /nfs/dbraw/zinc/20/42/83/953204283.db2.gz FUXXLGLTCRCNGV-HOTGVXAUSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234685 953204284 /nfs/dbraw/zinc/20/42/84/953204284.db2.gz FUXXLGLTCRCNGV-HOTGVXAUSA-N 1 3 383.500 1.147 20 0 GDADHO CN1CCN(C[C@@H](O)CNCc2cc(Br)cc3c2OCC3)CC1 ZINC000563010926 531796543 /nfs/dbraw/zinc/79/65/43/531796543.db2.gz CQGHIEXAPDKZBK-INIZCTEOSA-N 1 3 384.318 1.082 20 0 GDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)COc1ccc(I)cc1 ZINC000422911069 532069830 /nfs/dbraw/zinc/06/98/30/532069830.db2.gz SCMMWKRBHVJSOP-CORIIIEPSA-N 1 3 390.265 1.748 20 0 GDADHO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C[NH+](C)C)c2)c1-c1nnn[n-]1 ZINC000826083419 608022447 /nfs/dbraw/zinc/02/24/47/608022447.db2.gz LDNSVAVAJAANNQ-UHFFFAOYSA-N 1 3 383.460 1.056 20 0 GDADHO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602551365 652640849 /nfs/dbraw/zinc/64/08/49/652640849.db2.gz IQTCEICFSRKWRD-KBPBESRZSA-N 1 3 376.284 1.993 20 0 GDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819004853 655383161 /nfs/dbraw/zinc/38/31/61/655383161.db2.gz UGEAXHYHWXBTTG-HOCLYGCPSA-N 1 3 384.318 1.660 20 0 GDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819004261 655383175 /nfs/dbraw/zinc/38/31/75/655383175.db2.gz LXXQVAMMKKHZPD-ZBFHGGJFSA-N 1 3 384.318 1.660 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cccc(Br)c1 ZINC000912304467 660032521 /nfs/dbraw/zinc/03/25/21/660032521.db2.gz QBONPJVKZMGYML-XJKSGUPXSA-N 1 3 386.334 1.871 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cccc(Br)c1 ZINC000912304467 660032522 /nfs/dbraw/zinc/03/25/22/660032522.db2.gz QBONPJVKZMGYML-XJKSGUPXSA-N 1 3 386.334 1.871 20 0 GDADHO c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735904 720446722 /nfs/dbraw/zinc/44/67/22/720446722.db2.gz ZFYAFMBUDGMPLI-OALUTQOASA-N 1 3 380.496 1.856 20 0 GDADHO C[NH+]1CCN(c2cccc(N3CCc4ncc(Cn5cccn5)n4CC3)n2)CC1 ZINC001164863305 721032791 /nfs/dbraw/zinc/03/27/91/721032791.db2.gz REGVGYWZJRZCAK-UHFFFAOYSA-N 1 3 392.511 1.337 20 0 GDADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC1 ZINC001571282735 945860085 /nfs/dbraw/zinc/86/00/85/945860085.db2.gz PGKSADNZPOEORT-SHTZXODSSA-N 1 3 387.463 1.084 20 0 GDADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC1 ZINC001571282735 945860102 /nfs/dbraw/zinc/86/01/02/945860102.db2.gz PGKSADNZPOEORT-SHTZXODSSA-N 1 3 387.463 1.084 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574918471 948847828 /nfs/dbraw/zinc/84/78/28/948847828.db2.gz KVPTYWCRYUVIFT-INIZCTEOSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574919013 948864179 /nfs/dbraw/zinc/86/41/79/948864179.db2.gz UEWWVKPLPKNNPY-AWEZNQCLSA-N 1 3 389.479 1.476 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964267 949771280 /nfs/dbraw/zinc/77/12/80/949771280.db2.gz SQTQATROETUVCB-IPYPFGDCSA-N 1 3 389.479 1.330 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964267 949771299 /nfs/dbraw/zinc/77/12/99/949771299.db2.gz SQTQATROETUVCB-IPYPFGDCSA-N 1 3 389.479 1.330 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718461 949782803 /nfs/dbraw/zinc/78/28/03/949782803.db2.gz XOQONDQFMYWCGG-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718461 949782825 /nfs/dbraw/zinc/78/28/25/949782825.db2.gz XOQONDQFMYWCGG-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576180096 949939177 /nfs/dbraw/zinc/93/91/77/949939177.db2.gz BXTQEOPXOJVZEJ-RDJZCZTQSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576180096 949939198 /nfs/dbraw/zinc/93/91/98/949939198.db2.gz BXTQEOPXOJVZEJ-RDJZCZTQSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204799 950479374 /nfs/dbraw/zinc/47/93/74/950479374.db2.gz CORCUCHFHIJKDE-UONOGXRCSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204799 950479384 /nfs/dbraw/zinc/47/93/84/950479384.db2.gz CORCUCHFHIJKDE-UONOGXRCSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079539 951694743 /nfs/dbraw/zinc/69/47/43/951694743.db2.gz QSWDICWOQBCHFC-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079539 951694747 /nfs/dbraw/zinc/69/47/47/951694747.db2.gz QSWDICWOQBCHFC-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104926 951889200 /nfs/dbraw/zinc/88/92/00/951889200.db2.gz HCQMPFALWRWOSJ-OAHLLOKOSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104926 951889209 /nfs/dbraw/zinc/88/92/09/951889209.db2.gz HCQMPFALWRWOSJ-OAHLLOKOSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@@H+]1C ZINC001571234624 953203847 /nfs/dbraw/zinc/20/38/47/953203847.db2.gz DJOKUPSKUHBURD-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@H+]1C ZINC001571234624 953203850 /nfs/dbraw/zinc/20/38/50/953203850.db2.gz DJOKUPSKUHBURD-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@@H+]1C ZINC001571234624 953203851 /nfs/dbraw/zinc/20/38/51/953203851.db2.gz DJOKUPSKUHBURD-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@H+]1C ZINC001571234624 953203854 /nfs/dbraw/zinc/20/38/54/953203854.db2.gz DJOKUPSKUHBURD-QGPMSJSTSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571234835 953206133 /nfs/dbraw/zinc/20/61/33/953206133.db2.gz KAOXMZBQFOIYNG-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571234835 953206135 /nfs/dbraw/zinc/20/61/35/953206135.db2.gz KAOXMZBQFOIYNG-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414331952 531441016 /nfs/dbraw/zinc/44/10/16/531441016.db2.gz RGHRFERVFXESQF-CQSZACIVSA-N 1 3 388.965 1.351 20 0 GDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)COc2ccc(I)cc2)C1 ZINC000581736954 531513876 /nfs/dbraw/zinc/51/38/76/531513876.db2.gz PTPYYVAATCKSIM-RDBSUJKOSA-N 1 3 390.265 1.890 20 0 GDADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418678611 531834180 /nfs/dbraw/zinc/83/41/80/531834180.db2.gz VZPYTDDMJGFOAC-ZSHCYNCHSA-N 1 3 381.318 1.740 20 0 GDADHO O[C@@H](C[NH2+]CCOc1ccc(I)cc1)CN1CCCC1 ZINC000600740612 532053454 /nfs/dbraw/zinc/05/34/54/532053454.db2.gz JQTINIDHXXXVKY-AWEZNQCLSA-N 1 3 390.265 1.716 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000738409728 598519693 /nfs/dbraw/zinc/51/96/93/598519693.db2.gz FIKZABKZXCZXOU-KRWDZBQOSA-N 1 3 393.499 1.491 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000738409728 598519695 /nfs/dbraw/zinc/51/96/95/598519695.db2.gz FIKZABKZXCZXOU-KRWDZBQOSA-N 1 3 393.499 1.491 20 0 GDADHO CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736530823 598523202 /nfs/dbraw/zinc/52/32/02/598523202.db2.gz NDPOTAYUOQNZRC-KRWDZBQOSA-N 1 3 395.515 1.737 20 0 GDADHO CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736530823 598523204 /nfs/dbraw/zinc/52/32/04/598523204.db2.gz NDPOTAYUOQNZRC-KRWDZBQOSA-N 1 3 395.515 1.737 20 0 GDADHO CNC(=O)C[N@@H+]1CCCC12CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164683641 719728555 /nfs/dbraw/zinc/72/85/55/719728555.db2.gz BIYRQQQPWCPJOY-UHFFFAOYSA-N 1 3 386.544 1.014 20 0 GDADHO CNC(=O)C[N@H+]1CCCC12CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164683641 719728567 /nfs/dbraw/zinc/72/85/67/719728567.db2.gz BIYRQQQPWCPJOY-UHFFFAOYSA-N 1 3 386.544 1.014 20 0 GDADHO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncccc1CN1CCCC1)CC2 ZINC001164753669 720968533 /nfs/dbraw/zinc/96/85/33/720968533.db2.gz HSDGUVDUHUBQEO-UHFFFAOYSA-N 1 3 398.511 1.520 20 0 GDADHO c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164867512 721045496 /nfs/dbraw/zinc/04/54/96/721045496.db2.gz JICINQRIQSFRPA-ROUUACIJSA-N 1 3 380.496 1.040 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574918472 948845831 /nfs/dbraw/zinc/84/58/31/948845831.db2.gz KVPTYWCRYUVIFT-MRXNPFEDSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574740255 950226131 /nfs/dbraw/zinc/22/61/31/950226131.db2.gz CXDKNYGYOLFEKH-VKJFTORMSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574740255 950226150 /nfs/dbraw/zinc/22/61/50/950226150.db2.gz CXDKNYGYOLFEKH-VKJFTORMSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+](C)C ZINC001575902310 950255675 /nfs/dbraw/zinc/25/56/75/950255675.db2.gz UOZFIWCIBNJQOY-DYVFJYSZSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+](C)C ZINC001575902310 950255698 /nfs/dbraw/zinc/25/56/98/950255698.db2.gz UOZFIWCIBNJQOY-DYVFJYSZSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001574522511 950794048 /nfs/dbraw/zinc/79/40/48/950794048.db2.gz JVBZGDWULZIGJU-CHWSQXEVSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001574522511 950794054 /nfs/dbraw/zinc/79/40/54/950794054.db2.gz JVBZGDWULZIGJU-CHWSQXEVSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575079372 951690404 /nfs/dbraw/zinc/69/04/04/951690404.db2.gz DEPKNZARJLOMEV-CYBMUJFWSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114015 951950406 /nfs/dbraw/zinc/95/04/06/951950406.db2.gz KNQZZDYDOQMFQM-INIZCTEOSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114015 951950409 /nfs/dbraw/zinc/95/04/09/951950409.db2.gz KNQZZDYDOQMFQM-INIZCTEOSA-N 1 3 385.516 1.585 20 0 GDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115126 951963054 /nfs/dbraw/zinc/96/30/54/951963054.db2.gz UXDFTZRMYZKHQO-QAPCUYQASA-N 1 3 385.516 1.581 20 0 GDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115126 951963060 /nfs/dbraw/zinc/96/30/60/951963060.db2.gz UXDFTZRMYZKHQO-QAPCUYQASA-N 1 3 385.516 1.581 20 0 GDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC001550423596 1126206721 /nfs/dbraw/zinc/20/67/21/1126206721.db2.gz PFYAWTYBYSFWMS-DWRORGKVSA-N 1 3 380.558 1.549 20 0 GDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC001550423596 1126206723 /nfs/dbraw/zinc/20/67/23/1126206723.db2.gz PFYAWTYBYSFWMS-DWRORGKVSA-N 1 3 380.558 1.549 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(F)cc1Br ZINC000530641760 531399591 /nfs/dbraw/zinc/39/95/91/531399591.db2.gz HUUCVFDZMQUEIA-UHFFFAOYSA-N 1 3 390.297 1.919 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000414125048 531431530 /nfs/dbraw/zinc/43/15/30/531431530.db2.gz PXYMRYMLSZMVRW-GOEBONIOSA-N 1 3 386.334 1.682 20 0 GDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414331950 531440704 /nfs/dbraw/zinc/44/07/04/531440704.db2.gz RGHRFERVFXESQF-AWEZNQCLSA-N 1 3 388.965 1.351 20 0 GDADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000414763267 531462656 /nfs/dbraw/zinc/46/26/56/531462656.db2.gz XGFUIMNCMCDHQJ-GFCCVEGCSA-N 1 3 390.347 1.502 20 0 GDADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000414763267 531462660 /nfs/dbraw/zinc/46/26/60/531462660.db2.gz XGFUIMNCMCDHQJ-GFCCVEGCSA-N 1 3 390.347 1.502 20 0 GDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)COc2ccc(I)cc2)C1 ZINC000581736953 531513726 /nfs/dbraw/zinc/51/37/26/531513726.db2.gz PTPYYVAATCKSIM-MGPQQGTHSA-N 1 3 390.265 1.890 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000451231032 531571178 /nfs/dbraw/zinc/57/11/78/531571178.db2.gz PASNVYKYISJUJV-QWHCGFSZSA-N 1 3 386.436 1.618 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000451283584 531584164 /nfs/dbraw/zinc/58/41/64/531584164.db2.gz NSAXTQCIVSRTRO-CHWSQXEVSA-N 1 3 388.452 1.864 20 0 GDADHO Cc1cc(Br)cn2cc(CCNC[C@@H](O)C[N@@H+](C)C3CC3)nc12 ZINC000564873323 531869922 /nfs/dbraw/zinc/86/99/22/531869922.db2.gz NAUMBEINQPFICL-MRXNPFEDSA-N 1 3 381.318 1.992 20 0 GDADHO Cc1cc(Br)cn2cc(CCNC[C@@H](O)C[N@H+](C)C3CC3)nc12 ZINC000564873323 531869929 /nfs/dbraw/zinc/86/99/29/531869929.db2.gz NAUMBEINQPFICL-MRXNPFEDSA-N 1 3 381.318 1.992 20 0 GDADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1CNC1 ZINC000572017555 531958537 /nfs/dbraw/zinc/95/85/37/531958537.db2.gz WPDTYQACWHIZDR-UHFFFAOYSA-N 1 3 387.311 1.362 20 0 GDADHO Cc1c(Br)cccc1C[C@@H](CO)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567873439 650926232 /nfs/dbraw/zinc/92/62/32/650926232.db2.gz VVTPWNQBFICBOM-RHSMWYFYSA-N 1 3 385.346 1.953 20 0 GDADHO Cc1c(Br)cccc1C[C@@H](CO)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000567873439 650926233 /nfs/dbraw/zinc/92/62/33/650926233.db2.gz VVTPWNQBFICBOM-RHSMWYFYSA-N 1 3 385.346 1.953 20 0 GDADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)COc1ccc(Br)cc1 ZINC000572363828 651095181 /nfs/dbraw/zinc/09/51/81/651095181.db2.gz JDAKHABYCITLLG-INIZCTEOSA-N 1 3 387.318 1.625 20 0 GDADHO C[N@H+](C[C@@H](O)CNC[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301720 651987438 /nfs/dbraw/zinc/98/74/38/651987438.db2.gz RPWLEXJVYHLSSZ-LRDDRELGSA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@@H](O)CNC[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301720 651987442 /nfs/dbraw/zinc/98/74/42/651987442.db2.gz RPWLEXJVYHLSSZ-LRDDRELGSA-N 1 3 389.309 1.784 20 0 GDADHO CCN1CC[NH+](CCCCNC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000876780692 656630237 /nfs/dbraw/zinc/63/02/37/656630237.db2.gz IPNPIGVTQPLCMA-KRWDZBQOSA-N 1 3 397.361 1.983 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ncc(Br)cn1 ZINC000895666055 658718756 /nfs/dbraw/zinc/71/87/56/658718756.db2.gz JRCSRMJJONHUFY-LBPRGKRZSA-N 1 3 387.326 1.310 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ncc(Br)cn1 ZINC000895666055 658718761 /nfs/dbraw/zinc/71/87/61/658718761.db2.gz JRCSRMJJONHUFY-LBPRGKRZSA-N 1 3 387.326 1.310 20 0 GDADHO COC(=O)c1c[nH]c2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164683594 719627240 /nfs/dbraw/zinc/62/72/40/719627240.db2.gz TVJQPICPPMUABW-UHFFFAOYSA-N 1 3 383.456 1.416 20 0 GDADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C[NH+](C)C)ccn4)C3)O2)CC1 ZINC001164888693 721442955 /nfs/dbraw/zinc/44/29/55/721442955.db2.gz AKMXLGDSLCMLNL-UNMCSNQZSA-N 1 3 387.572 1.909 20 0 GDADHO Cc1cnc2n1CCN(C)C21CCN(c2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001164917027 721817785 /nfs/dbraw/zinc/81/77/85/721817785.db2.gz AMYFDTIQFDWELY-UHFFFAOYSA-N 1 3 395.555 1.955 20 0 GDADHO c1cncc(CN2CCO[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980762 722105086 /nfs/dbraw/zinc/10/50/86/722105086.db2.gz KHUHQTTYNKDADR-PXNSSMCTSA-N 1 3 380.496 1.245 20 0 GDADHO OC1CCN(CCC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826507982 948426308 /nfs/dbraw/zinc/42/63/08/948426308.db2.gz ZYJQCLLUOFHHLF-UHFFFAOYSA-N 1 3 399.543 1.268 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574524647 950868387 /nfs/dbraw/zinc/86/83/87/950868387.db2.gz YBDBGGBZQVBKPF-LSDHHAIUSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574524647 950868406 /nfs/dbraw/zinc/86/84/06/950868406.db2.gz YBDBGGBZQVBKPF-LSDHHAIUSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575079846 951697573 /nfs/dbraw/zinc/69/75/73/951697573.db2.gz HIFDAKSMMMZTCA-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575079846 951697577 /nfs/dbraw/zinc/69/75/77/951697577.db2.gz HIFDAKSMMMZTCA-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575079846 951697581 /nfs/dbraw/zinc/69/75/81/951697581.db2.gz HIFDAKSMMMZTCA-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575079846 951697587 /nfs/dbraw/zinc/69/75/87/951697587.db2.gz HIFDAKSMMMZTCA-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCC[NH+](C)C ZINC001575080739 951714731 /nfs/dbraw/zinc/71/47/31/951714731.db2.gz NGKOVONEWSIGAI-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCC[NH+](C)C ZINC001575080739 951714736 /nfs/dbraw/zinc/71/47/36/951714736.db2.gz NGKOVONEWSIGAI-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575091643 951780744 /nfs/dbraw/zinc/78/07/44/951780744.db2.gz TUMZPBIJUJNCTO-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575091643 951780749 /nfs/dbraw/zinc/78/07/49/951780749.db2.gz TUMZPBIJUJNCTO-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575105455 951893185 /nfs/dbraw/zinc/89/31/85/951893185.db2.gz JVVXYXOGBFFSBT-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575105455 951893195 /nfs/dbraw/zinc/89/31/95/951893195.db2.gz JVVXYXOGBFFSBT-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575105455 951893202 /nfs/dbraw/zinc/89/32/02/951893202.db2.gz JVVXYXOGBFFSBT-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575105455 951893212 /nfs/dbraw/zinc/89/32/12/951893212.db2.gz JVVXYXOGBFFSBT-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575105452 951893768 /nfs/dbraw/zinc/89/37/68/951893768.db2.gz JVVXYXOGBFFSBT-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575105452 951893774 /nfs/dbraw/zinc/89/37/74/951893774.db2.gz JVVXYXOGBFFSBT-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575105452 951893778 /nfs/dbraw/zinc/89/37/78/951893778.db2.gz JVVXYXOGBFFSBT-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575105452 951893785 /nfs/dbraw/zinc/89/37/85/951893785.db2.gz JVVXYXOGBFFSBT-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108344 951924022 /nfs/dbraw/zinc/92/40/22/951924022.db2.gz LNOFVSLGTMMPNT-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108344 951924026 /nfs/dbraw/zinc/92/40/26/951924026.db2.gz LNOFVSLGTMMPNT-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108344 951924032 /nfs/dbraw/zinc/92/40/32/951924032.db2.gz LNOFVSLGTMMPNT-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108344 951924038 /nfs/dbraw/zinc/92/40/38/951924038.db2.gz LNOFVSLGTMMPNT-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571234881 953206116 /nfs/dbraw/zinc/20/61/16/953206116.db2.gz LLDLCLOJEHIHNQ-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571234881 953206118 /nfs/dbraw/zinc/20/61/18/953206118.db2.gz LLDLCLOJEHIHNQ-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571234881 953206121 /nfs/dbraw/zinc/20/61/21/953206121.db2.gz LLDLCLOJEHIHNQ-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571234881 953206123 /nfs/dbraw/zinc/20/61/23/953206123.db2.gz LLDLCLOJEHIHNQ-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO CS(=O)(=O)C1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000367650072 531851588 /nfs/dbraw/zinc/85/15/88/531851588.db2.gz YVIHUVWFPQTUFH-UHFFFAOYSA-N 1 3 379.404 1.269 20 0 GDADHO C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825859480 608379554 /nfs/dbraw/zinc/37/95/54/608379554.db2.gz FZACIFPHKWNGMG-GOSISDBHSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@H](NCCCC[NH+]1CCN(CCO)CC1)c1ncc(Br)s1 ZINC000534495854 650222631 /nfs/dbraw/zinc/22/26/31/650222631.db2.gz VQAUNYZGNKVWOM-ZDUSSCGKSA-N 1 3 391.379 1.946 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000564621564 650762793 /nfs/dbraw/zinc/76/27/93/650762793.db2.gz KMBDCANNPKDOSZ-UHFFFAOYSA-N 1 3 381.424 1.052 20 0 GDADHO C[C@@H](NCCOCCC[NH3+])c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629540852 653171009 /nfs/dbraw/zinc/17/10/09/653171009.db2.gz XPUHPQIRBIOJNI-SNVBAGLBSA-N 1 3 380.308 1.113 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(n2cc(Br)cn2)CC1 ZINC000824826254 655481052 /nfs/dbraw/zinc/48/10/52/655481052.db2.gz GYKASKIFLBIVQX-ZDUSSCGKSA-N 1 3 386.338 1.523 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(n2cc(Br)cn2)CC1 ZINC000824826254 655481054 /nfs/dbraw/zinc/48/10/54/655481054.db2.gz GYKASKIFLBIVQX-ZDUSSCGKSA-N 1 3 386.338 1.523 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870856348 656250554 /nfs/dbraw/zinc/25/05/54/656250554.db2.gz VZLGOJKYBLQIAG-HZPDHXFCSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870856348 656250555 /nfs/dbraw/zinc/25/05/55/656250555.db2.gz VZLGOJKYBLQIAG-HZPDHXFCSA-N 1 3 384.318 1.922 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1 ZINC000873223363 656389670 /nfs/dbraw/zinc/38/96/70/656389670.db2.gz NRTOZJVMKJPVTB-OZTIQUGLSA-N 1 3 378.314 1.874 20 0 GDADHO COC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(Br)c1 ZINC000873223556 656390055 /nfs/dbraw/zinc/39/00/55/656390055.db2.gz QMIPUDJYGOPIHQ-BBRMVZONSA-N 1 3 384.318 1.924 20 0 GDADHO CN(CCOCC[NH3+])C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923403418 656549700 /nfs/dbraw/zinc/54/97/00/656549700.db2.gz PNNHFYRGUXCQEK-LBPRGKRZSA-N 1 3 381.698 1.749 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](N)c2ccc(Br)cc2)C1 ZINC000884180341 657333041 /nfs/dbraw/zinc/33/30/41/657333041.db2.gz VDFJPYXEYSGGPQ-HZPDHXFCSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](N)c2ccc(Br)cc2)C1 ZINC000884180341 657333047 /nfs/dbraw/zinc/33/30/47/657333047.db2.gz VDFJPYXEYSGGPQ-HZPDHXFCSA-N 1 3 384.318 1.922 20 0 GDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221148 657335816 /nfs/dbraw/zinc/33/58/16/657335816.db2.gz KTZFIDQTAPPAON-WBVHZDCISA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221148 657335820 /nfs/dbraw/zinc/33/58/20/657335820.db2.gz KTZFIDQTAPPAON-WBVHZDCISA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221148 657335826 /nfs/dbraw/zinc/33/58/26/657335826.db2.gz KTZFIDQTAPPAON-WBVHZDCISA-N 1 3 395.345 1.734 20 0 GDADHO Cn1cc(CNCCCN2CCC[N@H+](C)CC2)c(I)n1 ZINC000894374467 658547402 /nfs/dbraw/zinc/54/74/02/658547402.db2.gz AILUCSLXKMCMSH-UHFFFAOYSA-N 1 3 391.301 1.142 20 0 GDADHO Cn1cc(CNCCCN2CCC[N@@H+](C)CC2)c(I)n1 ZINC000894374467 658547407 /nfs/dbraw/zinc/54/74/07/658547407.db2.gz AILUCSLXKMCMSH-UHFFFAOYSA-N 1 3 391.301 1.142 20 0 GDADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)CCNC4)CC[C@@H]21 ZINC001164835769 720518578 /nfs/dbraw/zinc/51/85/78/720518578.db2.gz LGFSTZALPNBCJY-QRFRQXIXSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)CCNC4)CC[C@@H]21 ZINC001164835769 720518584 /nfs/dbraw/zinc/51/85/84/720518584.db2.gz LGFSTZALPNBCJY-QRFRQXIXSA-N 1 3 381.528 1.697 20 0 GDADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742381 720755995 /nfs/dbraw/zinc/75/59/95/720755995.db2.gz OJQIZVPBCUEWQD-RBUKOAKNSA-N 1 3 380.496 1.809 20 0 GDADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@H]2C1 ZINC001164859584 720870997 /nfs/dbraw/zinc/87/09/97/720870997.db2.gz UOWXOWJMBDYOIZ-KBXCAEBGSA-N 1 3 380.920 1.554 20 0 GDADHO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@H]2C1 ZINC001164859584 720871000 /nfs/dbraw/zinc/87/10/00/720871000.db2.gz UOWXOWJMBDYOIZ-KBXCAEBGSA-N 1 3 380.920 1.554 20 0 GDADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C[NH+](C)C)ccn4)C3)O2)CC1 ZINC001164888691 721442683 /nfs/dbraw/zinc/44/26/83/721442683.db2.gz AKMXLGDSLCMLNL-IRLDBZIGSA-N 1 3 387.572 1.909 20 0 GDADHO c1cncc(CN2CCO[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3C2)c1 ZINC001164981684 722100256 /nfs/dbraw/zinc/10/02/56/722100256.db2.gz LYMQUCKRPRNGGU-RXVVDRJESA-N 1 3 394.523 1.287 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574713524 949604824 /nfs/dbraw/zinc/60/48/24/949604824.db2.gz XWRYKPHHYIGSDR-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574524199 950853052 /nfs/dbraw/zinc/85/30/52/950853052.db2.gz UVYQACIQUTXXKZ-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574524199 950853070 /nfs/dbraw/zinc/85/30/70/950853070.db2.gz UVYQACIQUTXXKZ-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173393139 530629965 /nfs/dbraw/zinc/62/99/65/530629965.db2.gz YJCHWVKUUABDTI-CQSZACIVSA-N 1 3 399.333 1.626 20 0 GDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173393139 530629968 /nfs/dbraw/zinc/62/99/68/530629968.db2.gz YJCHWVKUUABDTI-CQSZACIVSA-N 1 3 399.333 1.626 20 0 GDADHO CCN1CCN(CCC[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638855000 531668311 /nfs/dbraw/zinc/66/83/11/531668311.db2.gz ZFPIGVILFDJZQN-UHFFFAOYSA-N 1 3 381.322 1.609 20 0 GDADHO CN(C)C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000627102785 531944773 /nfs/dbraw/zinc/94/47/73/531944773.db2.gz TWRNSIOTSFPYCI-IUODEOHRSA-N 1 3 375.300 1.884 20 0 GDADHO Ic1cnc(N2CCN(CC3CC[NH2+]CC3)CC2)nc1 ZINC000601326474 532060737 /nfs/dbraw/zinc/06/07/37/532060737.db2.gz NWGUCMCEUBLTTM-UHFFFAOYSA-N 1 3 387.269 1.203 20 0 GDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)COc1ccc(I)cc1 ZINC000422910324 532069374 /nfs/dbraw/zinc/06/93/74/532069374.db2.gz QISPOAZMKDZDEP-LOWVWBTDSA-N 1 3 378.254 1.746 20 0 GDADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740025 532255625 /nfs/dbraw/zinc/25/56/25/532255625.db2.gz IWVSCUAXJYYHRT-NSHDSACASA-N 1 3 394.335 1.325 20 0 GDADHO C[NH+](C)CCOc1ccc(C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821587190 599450753 /nfs/dbraw/zinc/45/07/53/599450753.db2.gz KZRVKHAZHNUMFQ-UHFFFAOYSA-N 1 3 382.468 1.976 20 0 GDADHO Cc1ccc(C[C@H](CO)CNC[C@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039568 651088665 /nfs/dbraw/zinc/08/86/65/651088665.db2.gz QQUGPRKPYDQROX-RDJZCZTQSA-N 1 3 385.346 1.953 20 0 GDADHO Cc1ccc(C[C@H](CO)CNC[C@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039568 651088667 /nfs/dbraw/zinc/08/86/67/651088667.db2.gz QQUGPRKPYDQROX-RDJZCZTQSA-N 1 3 385.346 1.953 20 0 GDADHO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602551367 652640933 /nfs/dbraw/zinc/64/09/33/652640933.db2.gz IQTCEICFSRKWRD-UONOGXRCSA-N 1 3 376.284 1.993 20 0 GDADHO O=C(NCCCNC[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000629559930 653171869 /nfs/dbraw/zinc/17/18/69/653171869.db2.gz VJVBCAREPHDAKJ-INIZCTEOSA-N 1 3 384.318 1.615 20 0 GDADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000631919459 653270848 /nfs/dbraw/zinc/27/08/48/653270848.db2.gz IPUJTXZKGNNSAQ-UHFFFAOYSA-N 1 3 390.619 1.256 20 0 GDADHO CCCC[C@H](CN)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963875 655363102 /nfs/dbraw/zinc/36/31/02/655363102.db2.gz WQQDIMFKNUGMAH-DZGCQCFKSA-N 1 3 391.559 1.580 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cnc1F ZINC000862166685 655840032 /nfs/dbraw/zinc/84/00/32/655840032.db2.gz KMJOCMLDIFLFRX-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cnc1F ZINC000862166685 655840033 /nfs/dbraw/zinc/84/00/33/655840033.db2.gz KMJOCMLDIFLFRX-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO CN(CCN1CC[NH2+]CC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923288264 656542824 /nfs/dbraw/zinc/54/28/24/656542824.db2.gz ZAEQOTKFLQMGOO-HNNXBMFYSA-N 1 3 390.297 1.165 20 0 GDADHO C[NH+]1CCC(NC(=O)CN[C@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000933441368 657281018 /nfs/dbraw/zinc/28/10/18/657281018.db2.gz PAKYDYMLVIHQRU-SFHVURJKSA-N 1 3 398.345 1.543 20 0 GDADHO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc3c(n2)CCNC3)CC1 ZINC001164823944 720301971 /nfs/dbraw/zinc/30/19/71/720301971.db2.gz QUCHCAPYUMEXAK-RBUKOAKNSA-N 1 3 384.528 1.034 20 0 GDADHO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164764042 721160625 /nfs/dbraw/zinc/16/06/25/721160625.db2.gz GQUMFGFICVVMBQ-PMACEKPBSA-N 1 3 395.555 1.525 20 0 GDADHO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164764042 721160632 /nfs/dbraw/zinc/16/06/32/721160632.db2.gz GQUMFGFICVVMBQ-PMACEKPBSA-N 1 3 395.555 1.525 20 0 GDADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712472 949578059 /nfs/dbraw/zinc/57/80/59/949578059.db2.gz SMXQXUBPZIEYQE-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574731261 950043982 /nfs/dbraw/zinc/04/39/82/950043982.db2.gz CHCJUUUDEIFWFW-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574731261 950043997 /nfs/dbraw/zinc/04/39/97/950043997.db2.gz CHCJUUUDEIFWFW-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906339 950310402 /nfs/dbraw/zinc/31/04/02/950310402.db2.gz HPIQUUCUVNBDEQ-PBHICJAKSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906339 950310423 /nfs/dbraw/zinc/31/04/23/950310423.db2.gz HPIQUUCUVNBDEQ-PBHICJAKSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908330 950361061 /nfs/dbraw/zinc/36/10/61/950361061.db2.gz UQSMMAMSHDESLX-GUYCJALGSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908330 950361078 /nfs/dbraw/zinc/36/10/78/950361078.db2.gz UQSMMAMSHDESLX-GUYCJALGSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205858 950545802 /nfs/dbraw/zinc/54/58/02/950545802.db2.gz QMWKTTNKMMHTHB-ZRMMWKCHSA-N 1 3 375.502 1.032 20 0 GDADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205858 950545819 /nfs/dbraw/zinc/54/58/19/950545819.db2.gz QMWKTTNKMMHTHB-ZRMMWKCHSA-N 1 3 375.502 1.032 20 0 GDADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576228440 950945840 /nfs/dbraw/zinc/94/58/40/950945840.db2.gz KAOXMZBQFOIYNG-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576228440 950945850 /nfs/dbraw/zinc/94/58/50/950945850.db2.gz KAOXMZBQFOIYNG-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000130576922 531061908 /nfs/dbraw/zinc/06/19/08/531061908.db2.gz ILFVBWRKVJQQHO-UHFFFAOYSA-N 1 3 375.300 1.884 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000154848244 531190418 /nfs/dbraw/zinc/19/04/18/531190418.db2.gz CEWOUONDPVRENY-UHFFFAOYSA-N 1 3 399.333 1.131 20 0 GDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)COc2ccc(I)cc2)C1 ZINC000581736951 531514134 /nfs/dbraw/zinc/51/41/34/531514134.db2.gz PTPYYVAATCKSIM-HZSPNIEDSA-N 1 3 390.265 1.890 20 0 GDADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000419956119 531989751 /nfs/dbraw/zinc/98/97/51/531989751.db2.gz NZYPECLZBMQXMZ-CYBMUJFWSA-N 1 3 399.333 1.050 20 0 GDADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000420008517 531996105 /nfs/dbraw/zinc/99/61/05/531996105.db2.gz UNZPHFSLLQLIDR-CYBMUJFWSA-N 1 3 399.333 1.193 20 0 GDADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000420008518 531996149 /nfs/dbraw/zinc/99/61/49/531996149.db2.gz UNZPHFSLLQLIDR-ZDUSSCGKSA-N 1 3 399.333 1.193 20 0 GDADHO C[C@@H]1CN(CCC2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426830146 532171594 /nfs/dbraw/zinc/17/15/94/532171594.db2.gz VOTUWIOBEKJLLJ-CALCHBBNSA-N 1 3 375.579 1.479 20 0 GDADHO Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CN3CCCC3)nc12 ZINC000629574786 653174649 /nfs/dbraw/zinc/17/46/49/653174649.db2.gz PHOVUKYIAACGCA-MRXNPFEDSA-N 1 3 381.318 1.994 20 0 GDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819004291 655383151 /nfs/dbraw/zinc/38/31/51/655383151.db2.gz NCCSFYZCDJKYAO-BBRMVZONSA-N 1 3 384.318 1.660 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cnc(Br)cn1 ZINC000923198126 656532084 /nfs/dbraw/zinc/53/20/84/656532084.db2.gz DXVNHGBUQYHWTE-LBPRGKRZSA-N 1 3 387.326 1.310 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cnc(Br)cn1 ZINC000923198126 656532087 /nfs/dbraw/zinc/53/20/87/656532087.db2.gz DXVNHGBUQYHWTE-LBPRGKRZSA-N 1 3 387.326 1.310 20 0 GDADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)c1cc(Br)no1 ZINC000878311291 656718154 /nfs/dbraw/zinc/71/81/54/656718154.db2.gz HHWVZTMFLOYOAN-CYBMUJFWSA-N 1 3 375.311 1.428 20 0 GDADHO CN(C)Cc1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164717686 720200835 /nfs/dbraw/zinc/20/08/35/720200835.db2.gz WBEGIMLJXZNIJX-IBGZPJMESA-N 1 3 399.543 1.488 20 0 GDADHO CC(C)[N@H+]1[C@@H]2CCN(c3cc4c(nn3)CCNC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835848 720569820 /nfs/dbraw/zinc/56/98/20/720569820.db2.gz INGDKKJIPPNXTN-CMKODMSKSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cc4c(nn3)CCNC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835848 720569823 /nfs/dbraw/zinc/56/98/23/720569823.db2.gz INGDKKJIPPNXTN-CMKODMSKSA-N 1 3 381.528 1.697 20 0 GDADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894070 721388638 /nfs/dbraw/zinc/38/86/38/721388638.db2.gz XEALEZJJZGANTF-DENIHFKCSA-N 1 3 385.556 1.493 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571283050 945873339 /nfs/dbraw/zinc/87/33/39/945873339.db2.gz YNMHVJDBZLVAKB-KFWWJZLASA-N 1 3 387.463 1.084 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571283050 945873354 /nfs/dbraw/zinc/87/33/54/945873354.db2.gz YNMHVJDBZLVAKB-KFWWJZLASA-N 1 3 387.463 1.084 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001571283050 945873366 /nfs/dbraw/zinc/87/33/66/945873366.db2.gz YNMHVJDBZLVAKB-KFWWJZLASA-N 1 3 387.463 1.084 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001571283050 945873377 /nfs/dbraw/zinc/87/33/77/945873377.db2.gz YNMHVJDBZLVAKB-KFWWJZLASA-N 1 3 387.463 1.084 20 0 GDADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573787113 949164277 /nfs/dbraw/zinc/16/42/77/949164277.db2.gz LUKHLUVYRKGLSP-CALCHBBNSA-N 1 3 383.500 1.478 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908329 950360718 /nfs/dbraw/zinc/36/07/18/950360718.db2.gz UQSMMAMSHDESLX-DYVFJYSZSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908329 950360734 /nfs/dbraw/zinc/36/07/34/950360734.db2.gz UQSMMAMSHDESLX-DYVFJYSZSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204723 950471529 /nfs/dbraw/zinc/47/15/29/950471529.db2.gz BBJWQCPMSWFCHR-KBPBESRZSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204723 950471543 /nfs/dbraw/zinc/47/15/43/950471543.db2.gz BBJWQCPMSWFCHR-KBPBESRZSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574520886 950757947 /nfs/dbraw/zinc/75/79/47/950757947.db2.gz ATHGVEDKUDRQND-HUUCEWRRSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574520886 950757963 /nfs/dbraw/zinc/75/79/63/950757963.db2.gz ATHGVEDKUDRQND-HUUCEWRRSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521034 950766636 /nfs/dbraw/zinc/76/66/36/950766636.db2.gz COCNKHFVDUZTCL-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521034 950766647 /nfs/dbraw/zinc/76/66/47/950766647.db2.gz COCNKHFVDUZTCL-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001574522513 950792296 /nfs/dbraw/zinc/79/22/96/950792296.db2.gz JVBZGDWULZIGJU-QWHCGFSZSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001574522513 950792316 /nfs/dbraw/zinc/79/23/16/950792316.db2.gz JVBZGDWULZIGJU-QWHCGFSZSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576228436 950942110 /nfs/dbraw/zinc/94/21/10/950942110.db2.gz KAOXMZBQFOIYNG-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576228436 950942128 /nfs/dbraw/zinc/94/21/28/950942128.db2.gz KAOXMZBQFOIYNG-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077336 951665790 /nfs/dbraw/zinc/66/57/90/951665790.db2.gz FXHVBHRLCXKQFJ-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077336 951665796 /nfs/dbraw/zinc/66/57/96/951665796.db2.gz FXHVBHRLCXKQFJ-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575080396 951708668 /nfs/dbraw/zinc/70/86/68/951708668.db2.gz KVYHGMVFAUKUKH-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575091262 951771608 /nfs/dbraw/zinc/77/16/08/951771608.db2.gz PHVFYKQYPCEAFU-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575091262 951771611 /nfs/dbraw/zinc/77/16/11/951771611.db2.gz PHVFYKQYPCEAFU-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575095122 951809746 /nfs/dbraw/zinc/80/97/46/951809746.db2.gz RWWFQZWQKFWIJW-DAYGRLMNSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575095122 951809748 /nfs/dbraw/zinc/80/97/48/951809748.db2.gz RWWFQZWQKFWIJW-DAYGRLMNSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113369 951938899 /nfs/dbraw/zinc/93/88/99/951938899.db2.gz ABLAQVZNKFCMAA-HNNXBMFYSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113835 951946729 /nfs/dbraw/zinc/94/67/29/951946729.db2.gz GXCNPPWGBMCSMB-KBXCAEBGSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113835 951946736 /nfs/dbraw/zinc/94/67/36/951946736.db2.gz GXCNPPWGBMCSMB-KBXCAEBGSA-N 1 3 383.500 1.050 20 0 GDADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC001550424023 1126206646 /nfs/dbraw/zinc/20/66/46/1126206646.db2.gz WWLMJSKGUUCQOJ-JPLJXNOCSA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC001550424023 1126206648 /nfs/dbraw/zinc/20/66/48/1126206648.db2.gz WWLMJSKGUUCQOJ-JPLJXNOCSA-N 1 3 394.585 1.939 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2cc(Br)ccn2n1 ZINC000515369529 531051042 /nfs/dbraw/zinc/05/10/42/531051042.db2.gz DPRXSFONVCWBTC-UHFFFAOYSA-N 1 3 398.309 1.449 20 0 GDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(Br)cn1 ZINC000505790392 531724836 /nfs/dbraw/zinc/72/48/36/531724836.db2.gz QMBUKFBACXEROH-OAHLLOKOSA-N 1 3 386.338 1.520 20 0 GDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(Br)cn1 ZINC000505790392 531724846 /nfs/dbraw/zinc/72/48/46/531724846.db2.gz QMBUKFBACXEROH-OAHLLOKOSA-N 1 3 386.338 1.520 20 0 GDADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000419849083 531978266 /nfs/dbraw/zinc/97/82/66/531978266.db2.gz WSUJHAQTQYYINF-UHFFFAOYSA-N 1 3 399.333 1.065 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000428232948 532201541 /nfs/dbraw/zinc/20/15/41/532201541.db2.gz PNXBJEHCYKWHIU-UONOGXRCSA-N 1 3 399.333 1.176 20 0 GDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736225333 598523132 /nfs/dbraw/zinc/52/31/32/598523132.db2.gz BNMXSDGCOQRQJO-BZUAXINKSA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736225333 598523134 /nfs/dbraw/zinc/52/31/34/598523134.db2.gz BNMXSDGCOQRQJO-BZUAXINKSA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000824546260 609167278 /nfs/dbraw/zinc/16/72/78/609167278.db2.gz HZXNCHDKMHCPTL-RDTXWAMCSA-N 1 3 383.500 1.682 20 0 GDADHO C[C@H](C[NH+]1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045294 650304272 /nfs/dbraw/zinc/30/42/72/650304272.db2.gz LOEPPWGATJBDMS-IKGGRYGDSA-N 1 3 376.563 1.257 20 0 GDADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421766671 646021681 /nfs/dbraw/zinc/02/16/81/646021681.db2.gz GTJMAMGQEGXFNW-UHFFFAOYSA-N 1 3 375.560 1.497 20 0 GDADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000629793103 653182468 /nfs/dbraw/zinc/18/24/68/653182468.db2.gz IYJNPTVAOCQSJE-UHFFFAOYSA-N 1 3 399.333 1.147 20 0 GDADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)COc1cccc(Br)c1 ZINC000647517872 653627990 /nfs/dbraw/zinc/62/79/90/653627990.db2.gz QDPVMGKQVRUSSO-INIZCTEOSA-N 1 3 387.318 1.625 20 0 GDADHO C[C@H](CNC(=O)[C@@H](N)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000870897013 656254099 /nfs/dbraw/zinc/25/40/99/656254099.db2.gz YICISVIGQVOUBX-CJNGLKHVSA-N 1 3 383.334 1.449 20 0 GDADHO Cn1ncc(Br)c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000878554231 656733078 /nfs/dbraw/zinc/73/30/78/656733078.db2.gz ZEEXQZUQLULDON-UHFFFAOYSA-N 1 3 398.349 1.400 20 0 GDADHO CN(C)Cc1ccnc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)c1 ZINC001165015216 721766887 /nfs/dbraw/zinc/76/68/87/721766887.db2.gz OCSJGBIEEXDEHF-UHFFFAOYSA-N 1 3 378.484 1.961 20 0 GDADHO CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857552 944705779 /nfs/dbraw/zinc/70/57/79/944705779.db2.gz VCSUNGXAJKRJQB-GOSISDBHSA-N 1 3 388.516 1.659 20 0 GDADHO CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857552 944705786 /nfs/dbraw/zinc/70/57/86/944705786.db2.gz VCSUNGXAJKRJQB-GOSISDBHSA-N 1 3 388.516 1.659 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]C1CCC([NH+]3CCCCC3)CC1)C2 ZINC000823821776 946486345 /nfs/dbraw/zinc/48/63/45/946486345.db2.gz ZYTWGELZIQQTDV-FHERZECASA-N 1 3 385.520 1.492 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]C1CCC([NH+]3CCCCC3)CC1)C2 ZINC000823821776 946486351 /nfs/dbraw/zinc/48/63/51/946486351.db2.gz ZYTWGELZIQQTDV-FHERZECASA-N 1 3 385.520 1.492 20 0 GDADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574703963 949359754 /nfs/dbraw/zinc/35/97/54/949359754.db2.gz IMQYLWPQSPLCKT-CYBMUJFWSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270763 949601591 /nfs/dbraw/zinc/60/15/91/949601591.db2.gz GBXGTQPYHLBCAW-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270763 949601605 /nfs/dbraw/zinc/60/16/05/949601605.db2.gz GBXGTQPYHLBCAW-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270763 949601619 /nfs/dbraw/zinc/60/16/19/949601619.db2.gz GBXGTQPYHLBCAW-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270763 949601629 /nfs/dbraw/zinc/60/16/29/949601629.db2.gz GBXGTQPYHLBCAW-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574721140 949809205 /nfs/dbraw/zinc/80/92/05/949809205.db2.gz JNEDOLQQYCDAGL-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908240 950357118 /nfs/dbraw/zinc/35/71/18/950357118.db2.gz SYPSOIUXUNTDSB-CXAGYDPISA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077474 951669745 /nfs/dbraw/zinc/66/97/45/951669745.db2.gz DXLZKVYJUFAZFL-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077474 951669752 /nfs/dbraw/zinc/66/97/52/951669752.db2.gz DXLZKVYJUFAZFL-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575095734 951813471 /nfs/dbraw/zinc/81/34/71/951813471.db2.gz WBHUZRYWGBSESZ-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575095734 951813480 /nfs/dbraw/zinc/81/34/80/951813480.db2.gz WBHUZRYWGBSESZ-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101541 951861857 /nfs/dbraw/zinc/86/18/57/951861857.db2.gz GYNPWSJQLTVRPK-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101541 951861862 /nfs/dbraw/zinc/86/18/62/951861862.db2.gz GYNPWSJQLTVRPK-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115774 951967201 /nfs/dbraw/zinc/96/72/01/951967201.db2.gz YTHOBZDEIZKNMJ-HNNXBMFYSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115774 951967207 /nfs/dbraw/zinc/96/72/07/951967207.db2.gz YTHOBZDEIZKNMJ-HNNXBMFYSA-N 1 3 383.500 1.337 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234669 953204793 /nfs/dbraw/zinc/20/47/93/953204793.db2.gz FQUAIDPTJWWGAU-SJLPKXTDSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234669 953204797 /nfs/dbraw/zinc/20/47/97/953204797.db2.gz FQUAIDPTJWWGAU-SJLPKXTDSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234669 953204800 /nfs/dbraw/zinc/20/48/00/953204800.db2.gz FQUAIDPTJWWGAU-SJLPKXTDSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234669 953204805 /nfs/dbraw/zinc/20/48/05/953204805.db2.gz FQUAIDPTJWWGAU-SJLPKXTDSA-N 1 3 383.500 1.147 20 0 GDADHO Cn1nc(Br)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192000829 530958895 /nfs/dbraw/zinc/95/88/95/530958895.db2.gz SFPWYDNOQSZTPI-UHFFFAOYSA-N 1 3 384.322 1.471 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130577555 531061894 /nfs/dbraw/zinc/06/18/94/531061894.db2.gz QTHVZQNPYMNGMD-UHFFFAOYSA-N 1 3 375.300 1.884 20 0 GDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736763515 598932375 /nfs/dbraw/zinc/93/23/75/598932375.db2.gz LQELURZOZJUFQQ-UHFFFAOYSA-N 1 3 399.543 1.783 20 0 GDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736763515 598932377 /nfs/dbraw/zinc/93/23/77/598932377.db2.gz LQELURZOZJUFQQ-UHFFFAOYSA-N 1 3 399.543 1.783 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145609 598349347 /nfs/dbraw/zinc/34/93/47/598349347.db2.gz CZKREMCYTNPKIS-INIZCTEOSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145609 598349349 /nfs/dbraw/zinc/34/93/49/598349349.db2.gz CZKREMCYTNPKIS-INIZCTEOSA-N 1 3 388.516 1.660 20 0 GDADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825860583 609292388 /nfs/dbraw/zinc/29/23/88/609292388.db2.gz SDWCPELIOCSYCG-UHFFFAOYSA-N 1 3 393.923 1.866 20 0 GDADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825860583 609292389 /nfs/dbraw/zinc/29/23/89/609292389.db2.gz SDWCPELIOCSYCG-UHFFFAOYSA-N 1 3 393.923 1.866 20 0 GDADHO COC[C@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000423098923 646113889 /nfs/dbraw/zinc/11/38/89/646113889.db2.gz DKGWORRLVMUJSE-NSHDSACASA-N 1 3 384.329 1.615 20 0 GDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639169697 653547976 /nfs/dbraw/zinc/54/79/76/653547976.db2.gz IOAREDXNKLQIMN-UHFFFAOYSA-N 1 3 388.965 1.445 20 0 GDADHO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959520 655362928 /nfs/dbraw/zinc/36/29/28/655362928.db2.gz SIYIDGGGVMHWDL-HIFRSBDPSA-N 1 3 391.559 1.436 20 0 GDADHO CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959524 655363053 /nfs/dbraw/zinc/36/30/53/655363053.db2.gz SIYIDGGGVMHWDL-ZFWWWQNUSA-N 1 3 391.559 1.436 20 0 GDADHO C[NH+]1CCC(NC(=O)CN[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 ZINC000933441366 657281106 /nfs/dbraw/zinc/28/11/06/657281106.db2.gz PAKYDYMLVIHQRU-GOSISDBHSA-N 1 3 398.345 1.543 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822039 720297009 /nfs/dbraw/zinc/29/70/09/720297009.db2.gz MLQKGAWZLJCWIP-ROUUACIJSA-N 1 3 386.544 1.763 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271372 949619832 /nfs/dbraw/zinc/61/98/32/949619832.db2.gz JWMKPICFWLPRLV-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271372 949619835 /nfs/dbraw/zinc/61/98/35/949619835.db2.gz JWMKPICFWLPRLV-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271372 949619845 /nfs/dbraw/zinc/61/98/45/949619845.db2.gz JWMKPICFWLPRLV-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271372 949619858 /nfs/dbraw/zinc/61/98/58/949619858.db2.gz JWMKPICFWLPRLV-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715734 949665814 /nfs/dbraw/zinc/66/58/14/949665814.db2.gz FZMQJQWXUNHTKD-DOTOQJQBSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715734 949665837 /nfs/dbraw/zinc/66/58/37/949665837.db2.gz FZMQJQWXUNHTKD-DOTOQJQBSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715734 949665849 /nfs/dbraw/zinc/66/58/49/949665849.db2.gz FZMQJQWXUNHTKD-DOTOQJQBSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715734 949665862 /nfs/dbraw/zinc/66/58/62/949665862.db2.gz FZMQJQWXUNHTKD-DOTOQJQBSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576169199 949666646 /nfs/dbraw/zinc/66/66/46/949666646.db2.gz FVDCHOHFLUHDLY-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576169199 949666657 /nfs/dbraw/zinc/66/66/57/949666657.db2.gz FVDCHOHFLUHDLY-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574150640 950038569 /nfs/dbraw/zinc/03/85/69/950038569.db2.gz CVVAVAAOWKBUBD-ZWKOTPCHSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150640 950038586 /nfs/dbraw/zinc/03/85/86/950038586.db2.gz CVVAVAAOWKBUBD-ZWKOTPCHSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204798 950476720 /nfs/dbraw/zinc/47/67/20/950476720.db2.gz CORCUCHFHIJKDE-KGLIPLIRSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204798 950476735 /nfs/dbraw/zinc/47/67/35/950476735.db2.gz CORCUCHFHIJKDE-KGLIPLIRSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090689 951763549 /nfs/dbraw/zinc/76/35/49/951763549.db2.gz LDHQHJXVSZZHPF-OAHLLOKOSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090689 951763552 /nfs/dbraw/zinc/76/35/52/951763552.db2.gz LDHQHJXVSZZHPF-OAHLLOKOSA-N 1 3 385.516 1.441 20 0 GDADHO CN1CC[NH+](CCCNCc2ncc(I)s2)CC1 ZINC000285568380 532094821 /nfs/dbraw/zinc/09/48/21/532094821.db2.gz WBOLHOKSUIZLKP-UHFFFAOYSA-N 1 3 380.299 1.475 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000428232947 532201403 /nfs/dbraw/zinc/20/14/03/532201403.db2.gz PNXBJEHCYKWHIU-KGLIPLIRSA-N 1 3 399.333 1.176 20 0 GDADHO COC(=O)c1sccc1S(=O)(=O)N(CCN(C)C)C1CC[NH+](C)CC1 ZINC000548137329 650532040 /nfs/dbraw/zinc/53/20/40/650532040.db2.gz ZTDGMIVYUOIIQZ-UHFFFAOYSA-N 1 3 389.543 1.181 20 0 GDADHO COC[C@@H](CCC[NH3+])NCC(=O)Nc1ccc(I)cc1 ZINC000423098426 646113151 /nfs/dbraw/zinc/11/31/51/646113151.db2.gz CSQPBIDONNUSGE-CYBMUJFWSA-N 1 3 391.253 1.573 20 0 GDADHO CSC1(CNCc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC[NH+](C)CC1 ZINC000576197112 651642645 /nfs/dbraw/zinc/64/26/45/651642645.db2.gz VIYBGYYQQACZSY-INIZCTEOSA-N 1 3 386.587 1.334 20 0 GDADHO C[N@@H+]1CCCN(CCCNCc2ncc(I)s2)CC1 ZINC000586776710 652094377 /nfs/dbraw/zinc/09/43/77/652094377.db2.gz JBGWOTRDPMNFOD-UHFFFAOYSA-N 1 3 394.326 1.865 20 0 GDADHO C[N@H+]1CCCN(CCCNCc2ncc(I)s2)CC1 ZINC000586776710 652094382 /nfs/dbraw/zinc/09/43/82/652094382.db2.gz JBGWOTRDPMNFOD-UHFFFAOYSA-N 1 3 394.326 1.865 20 0 GDADHO CN(CC(=O)NCC(=O)Nc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000843353603 655393508 /nfs/dbraw/zinc/39/35/08/655393508.db2.gz DNRNXQDFDAOPLU-UHFFFAOYSA-N 1 3 397.317 1.706 20 0 GDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884590 656251827 /nfs/dbraw/zinc/25/18/27/656251827.db2.gz AVOCCHZAZUXVIN-NVXWUHKLSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884590 656251829 /nfs/dbraw/zinc/25/18/29/656251829.db2.gz AVOCCHZAZUXVIN-NVXWUHKLSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884590 656251833 /nfs/dbraw/zinc/25/18/33/656251833.db2.gz AVOCCHZAZUXVIN-NVXWUHKLSA-N 1 3 395.345 1.734 20 0 GDADHO COCCCS(=O)(=O)NCCN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156054 656319203 /nfs/dbraw/zinc/31/92/03/656319203.db2.gz DFWVLFZEJNVRBB-WMZOPIPTSA-N 1 3 375.579 1.562 20 0 GDADHO Cn1cc(CN2CC[C@@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164773399 721168673 /nfs/dbraw/zinc/16/86/73/721168673.db2.gz WYVXOMORPNJNEQ-QZTJIDSGSA-N 1 3 396.543 1.096 20 0 GDADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164770783 721205466 /nfs/dbraw/zinc/20/54/66/721205466.db2.gz OJNIKANRXBYKGL-ZWKOTPCHSA-N 1 3 397.527 1.299 20 0 GDADHO Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164971309 722159171 /nfs/dbraw/zinc/15/91/71/722159171.db2.gz BQTPOBRSVURIFL-QUCCMNQESA-N 1 3 394.523 1.594 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576181432 950005539 /nfs/dbraw/zinc/00/55/39/950005539.db2.gz IFKNMGWPBGPXDZ-YJBOKZPZSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576181432 950005555 /nfs/dbraw/zinc/00/55/55/950005555.db2.gz IFKNMGWPBGPXDZ-YJBOKZPZSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576182089 950035288 /nfs/dbraw/zinc/03/52/88/950035288.db2.gz KZTZYOWBWQMONZ-YJBOKZPZSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576182089 950035308 /nfs/dbraw/zinc/03/53/08/950035308.db2.gz KZTZYOWBWQMONZ-YJBOKZPZSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574733180 950100619 /nfs/dbraw/zinc/10/06/19/950100619.db2.gz VCAHIYUTCJAVCH-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574733180 950100632 /nfs/dbraw/zinc/10/06/32/950100632.db2.gz VCAHIYUTCJAVCH-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574733180 950100644 /nfs/dbraw/zinc/10/06/44/950100644.db2.gz VCAHIYUTCJAVCH-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574733180 950100658 /nfs/dbraw/zinc/10/06/58/950100658.db2.gz VCAHIYUTCJAVCH-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574522584 950797909 /nfs/dbraw/zinc/79/79/09/950797909.db2.gz KZKDPWCKJWPKLJ-GJZGRUSLSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574522584 950797925 /nfs/dbraw/zinc/79/79/25/950797925.db2.gz KZKDPWCKJWPKLJ-GJZGRUSLSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079736 951695928 /nfs/dbraw/zinc/69/59/28/951695928.db2.gz OFIOSHHIOVTGQZ-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079736 951695930 /nfs/dbraw/zinc/69/59/30/951695930.db2.gz OFIOSHHIOVTGQZ-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080046 951701949 /nfs/dbraw/zinc/70/19/49/951701949.db2.gz JUHHTZLYKAGRRT-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080046 951701957 /nfs/dbraw/zinc/70/19/57/951701957.db2.gz JUHHTZLYKAGRRT-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104119 951881824 /nfs/dbraw/zinc/88/18/24/951881824.db2.gz BNPFEHPGOWRCRB-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104119 951881829 /nfs/dbraw/zinc/88/18/29/951881829.db2.gz BNPFEHPGOWRCRB-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104119 951881835 /nfs/dbraw/zinc/88/18/35/951881835.db2.gz BNPFEHPGOWRCRB-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104119 951881847 /nfs/dbraw/zinc/88/18/47/951881847.db2.gz BNPFEHPGOWRCRB-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001571234846 953205960 /nfs/dbraw/zinc/20/59/60/953205960.db2.gz KICKGTMRBQSTLW-CALCHBBNSA-N 1 3 383.500 1.335 20 0 GDADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001571234846 953205964 /nfs/dbraw/zinc/20/59/64/953205964.db2.gz KICKGTMRBQSTLW-CALCHBBNSA-N 1 3 383.500 1.335 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000130277780 531059042 /nfs/dbraw/zinc/05/90/42/531059042.db2.gz AQQHHZCRZZFBJE-OAHLLOKOSA-N 1 3 384.318 1.877 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000617506754 531660414 /nfs/dbraw/zinc/66/04/14/531660414.db2.gz YHUTUBHNBDHMJG-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn2cc(Br)cnc12 ZINC000617506754 531660421 /nfs/dbraw/zinc/66/04/21/531660421.db2.gz YHUTUBHNBDHMJG-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@@H](NCCCNS(=O)(=O)c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000423105097 532071921 /nfs/dbraw/zinc/07/19/21/532071921.db2.gz NCPVKYBGSXAQJR-CHWSQXEVSA-N 1 3 390.347 1.705 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCN(C)CC1 ZINC000428236242 532201236 /nfs/dbraw/zinc/20/12/36/532201236.db2.gz JICNYOVCXCJPMD-OAHLLOKOSA-N 1 3 385.350 1.617 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145610 598348801 /nfs/dbraw/zinc/34/88/01/598348801.db2.gz CZKREMCYTNPKIS-MRXNPFEDSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145610 598348805 /nfs/dbraw/zinc/34/88/05/598348805.db2.gz CZKREMCYTNPKIS-MRXNPFEDSA-N 1 3 388.516 1.660 20 0 GDADHO C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736758071 598563058 /nfs/dbraw/zinc/56/30/58/598563058.db2.gz CKWGQKWZDMDTLX-UHFFFAOYSA-N 1 3 377.518 1.921 20 0 GDADHO C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736758071 598563060 /nfs/dbraw/zinc/56/30/60/598563060.db2.gz CKWGQKWZDMDTLX-UHFFFAOYSA-N 1 3 377.518 1.921 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820480242 606894729 /nfs/dbraw/zinc/89/47/29/606894729.db2.gz HCRJRFWBGRIION-INIZCTEOSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820480242 606894730 /nfs/dbraw/zinc/89/47/30/606894730.db2.gz HCRJRFWBGRIION-INIZCTEOSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820480242 606894731 /nfs/dbraw/zinc/89/47/31/606894731.db2.gz HCRJRFWBGRIION-INIZCTEOSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820480242 606894732 /nfs/dbraw/zinc/89/47/32/606894732.db2.gz HCRJRFWBGRIION-INIZCTEOSA-N 1 3 388.516 1.660 20 0 GDADHO O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672525 606908167 /nfs/dbraw/zinc/90/81/67/606908167.db2.gz FEXHGTGZGNSCNI-LJQANCHMSA-N 1 3 386.500 1.477 20 0 GDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Br)cn1 ZINC000517867575 648580420 /nfs/dbraw/zinc/58/04/20/648580420.db2.gz AKOWTQGNHXZCKZ-OAHLLOKOSA-N 1 3 385.350 1.885 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000656791194 654054221 /nfs/dbraw/zinc/05/42/21/654054221.db2.gz VXVFSHSXYRYVEW-HNNXBMFYSA-N 1 3 395.345 1.768 20 0 GDADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925439945 656712691 /nfs/dbraw/zinc/71/26/91/656712691.db2.gz PJCZUTZCLJJGMO-IXDOHACOSA-N 1 3 375.579 1.526 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000912304849 660032544 /nfs/dbraw/zinc/03/25/44/660032544.db2.gz SJDKHFLUQMMZGC-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ncc(Br)cn2n1 ZINC000912304849 660032545 /nfs/dbraw/zinc/03/25/45/660032545.db2.gz SJDKHFLUQMMZGC-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164867514 721044992 /nfs/dbraw/zinc/04/49/92/721044992.db2.gz JICINQRIQSFRPA-ZWKOTPCHSA-N 1 3 380.496 1.040 20 0 GDADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164867673 721118599 /nfs/dbraw/zinc/11/85/99/721118599.db2.gz ZNFJPIVPMNZJHZ-WOJBJXKFSA-N 1 3 394.523 1.818 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576169218 949671804 /nfs/dbraw/zinc/67/18/04/949671804.db2.gz FVDCHOHFLUHDLY-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576169218 949671816 /nfs/dbraw/zinc/67/18/16/949671816.db2.gz FVDCHOHFLUHDLY-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574720819 949805273 /nfs/dbraw/zinc/80/52/73/949805273.db2.gz HRHYAWHZMOKQDN-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574720819 949805297 /nfs/dbraw/zinc/80/52/97/949805297.db2.gz HRHYAWHZMOKQDN-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575902876 950269619 /nfs/dbraw/zinc/26/96/19/950269619.db2.gz XPJQZMGJWYGRPB-BLLLJJGKSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575902876 950269640 /nfs/dbraw/zinc/26/96/40/950269640.db2.gz XPJQZMGJWYGRPB-BLLLJJGKSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099596 951837046 /nfs/dbraw/zinc/83/70/46/951837046.db2.gz NMURSGYKMXYCES-GFCCVEGCSA-N 1 3 377.518 1.254 20 0 GDADHO C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099596 951837052 /nfs/dbraw/zinc/83/70/52/951837052.db2.gz NMURSGYKMXYCES-GFCCVEGCSA-N 1 3 377.518 1.254 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000666090208 531747590 /nfs/dbraw/zinc/74/75/90/531747590.db2.gz MPQAJJFSRRCQSE-GDBMZVCRSA-N 1 3 397.361 1.757 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(I)c[nH]1 ZINC000597943256 531960980 /nfs/dbraw/zinc/96/09/80/531960980.db2.gz WLCFSKGWBFUBQR-NSHDSACASA-N 1 3 392.285 1.621 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(I)c[nH]1 ZINC000597943256 531960985 /nfs/dbraw/zinc/96/09/85/531960985.db2.gz WLCFSKGWBFUBQR-NSHDSACASA-N 1 3 392.285 1.621 20 0 GDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423104360 532072053 /nfs/dbraw/zinc/07/20/53/532072053.db2.gz LYVWZDVWMQGBHJ-NEPJUHHUSA-N 1 3 378.336 1.833 20 0 GDADHO CN1CC[NH+](CCCNCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000290018947 532335543 /nfs/dbraw/zinc/33/55/43/532335543.db2.gz UYSSQVIMUAMZHD-UHFFFAOYSA-N 1 3 393.333 1.757 20 0 GDADHO COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826194861 607509133 /nfs/dbraw/zinc/50/91/33/607509133.db2.gz YBNIZVCHLSNKFV-UHFFFAOYSA-N 1 3 386.500 1.952 20 0 GDADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632232394 653320514 /nfs/dbraw/zinc/32/05/14/653320514.db2.gz ZQIHWRLWULRMCK-UHFFFAOYSA-N 1 3 390.937 1.852 20 0 GDADHO COc1ncc(Br)c(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000641324476 653564713 /nfs/dbraw/zinc/56/47/13/653564713.db2.gz TUXOYPVACSNOSA-UHFFFAOYSA-N 1 3 384.322 2.218 20 0 GDADHO Cn1nc(Br)cc1CNCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000785426761 654917147 /nfs/dbraw/zinc/91/71/47/654917147.db2.gz IYJGHRSNKOBGRM-UHFFFAOYSA-N 1 3 379.306 1.619 20 0 GDADHO Cn1nc(Br)cc1C[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000785426761 654917150 /nfs/dbraw/zinc/91/71/50/654917150.db2.gz IYJGHRSNKOBGRM-UHFFFAOYSA-N 1 3 379.306 1.619 20 0 GDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819004293 655383033 /nfs/dbraw/zinc/38/30/33/655383033.db2.gz NCCSFYZCDJKYAO-CZUORRHYSA-N 1 3 384.318 1.660 20 0 GDADHO COCCCS(=O)(=O)NCCN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156051 656318941 /nfs/dbraw/zinc/31/89/41/656318941.db2.gz DFWVLFZEJNVRBB-AEFFLSMTSA-N 1 3 375.579 1.562 20 0 GDADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925439944 656712634 /nfs/dbraw/zinc/71/26/34/656712634.db2.gz PJCZUTZCLJJGMO-BRWVUGGUSA-N 1 3 375.579 1.526 20 0 GDADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000904345102 659399450 /nfs/dbraw/zinc/39/94/50/659399450.db2.gz CISQOAUUMDCGCR-OTVXOJSOSA-N 1 3 381.318 1.743 20 0 GDADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(CN)ncn1)CC2 ZINC001164714140 720108856 /nfs/dbraw/zinc/10/88/56/720108856.db2.gz AEHIAVZXTLLGBN-LJQANCHMSA-N 1 3 382.512 1.838 20 0 GDADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(CN)ncn1)CC2 ZINC001164714140 720108860 /nfs/dbraw/zinc/10/88/60/720108860.db2.gz AEHIAVZXTLLGBN-LJQANCHMSA-N 1 3 382.512 1.838 20 0 GDADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)CCNC4)CC[C@@H]21 ZINC001164835768 720518812 /nfs/dbraw/zinc/51/88/12/720518812.db2.gz LGFSTZALPNBCJY-KPFFTGBYSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)CCNC4)CC[C@@H]21 ZINC001164835768 720518815 /nfs/dbraw/zinc/51/88/15/720518815.db2.gz LGFSTZALPNBCJY-KPFFTGBYSA-N 1 3 381.528 1.697 20 0 GDADHO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@H]3C2)cn1 ZINC001164764052 721161174 /nfs/dbraw/zinc/16/11/74/721161174.db2.gz GQUMFGFICVVMBQ-VQTJNVASSA-N 1 3 395.555 1.525 20 0 GDADHO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@H]3C2)cn1 ZINC001164764052 721161179 /nfs/dbraw/zinc/16/11/79/721161179.db2.gz GQUMFGFICVVMBQ-VQTJNVASSA-N 1 3 395.555 1.525 20 0 GDADHO Cc1cc(N2CCCC2)nc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)[nH+]1 ZINC001164796602 721508297 /nfs/dbraw/zinc/50/82/97/721508297.db2.gz SZEOCARXLBBKPY-UHFFFAOYSA-N 1 3 396.543 1.349 20 0 GDADHO c1cc(CN2CCOCC3(CCN(c4cc5c(nn4)CC[NH2+]C5)CC3)C2)ccn1 ZINC001164963310 722057892 /nfs/dbraw/zinc/05/78/92/722057892.db2.gz WMNOABYTQVFNGJ-UHFFFAOYSA-N 1 3 394.523 1.636 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715736 949666258 /nfs/dbraw/zinc/66/62/58/949666258.db2.gz FZMQJQWXUNHTKD-RDJZCZTQSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715736 949666273 /nfs/dbraw/zinc/66/62/73/949666273.db2.gz FZMQJQWXUNHTKD-RDJZCZTQSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715736 949666285 /nfs/dbraw/zinc/66/62/85/949666285.db2.gz FZMQJQWXUNHTKD-RDJZCZTQSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715736 949666296 /nfs/dbraw/zinc/66/62/96/949666296.db2.gz FZMQJQWXUNHTKD-RDJZCZTQSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576171816 949780968 /nfs/dbraw/zinc/78/09/68/949780968.db2.gz SVCPZTGQVOKRHP-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576171816 949780983 /nfs/dbraw/zinc/78/09/83/949780983.db2.gz SVCPZTGQVOKRHP-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576182087 950033110 /nfs/dbraw/zinc/03/31/10/950033110.db2.gz KZTZYOWBWQMONZ-QAPCUYQASA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576182087 950033135 /nfs/dbraw/zinc/03/31/35/950033135.db2.gz KZTZYOWBWQMONZ-QAPCUYQASA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(=O)CC[NH+](C)C ZINC001574522218 950793396 /nfs/dbraw/zinc/79/33/96/950793396.db2.gz JODBBKZVMLNERP-QWHCGFSZSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(=O)CC[NH+](C)C ZINC001574522218 950793418 /nfs/dbraw/zinc/79/34/18/950793418.db2.gz JODBBKZVMLNERP-QWHCGFSZSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575077399 951668310 /nfs/dbraw/zinc/66/83/10/951668310.db2.gz CJEVLRJCSBNNQC-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575077399 951668316 /nfs/dbraw/zinc/66/83/16/951668316.db2.gz CJEVLRJCSBNNQC-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113717 951942769 /nfs/dbraw/zinc/94/27/69/951942769.db2.gz DNEXSPSLAOSSFH-JYJNAYRXSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113717 951942773 /nfs/dbraw/zinc/94/27/73/951942773.db2.gz DNEXSPSLAOSSFH-JYJNAYRXSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113717 951942779 /nfs/dbraw/zinc/94/27/79/951942779.db2.gz DNEXSPSLAOSSFH-JYJNAYRXSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113717 951942784 /nfs/dbraw/zinc/94/27/84/951942784.db2.gz DNEXSPSLAOSSFH-JYJNAYRXSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168924664 530585344 /nfs/dbraw/zinc/58/53/44/530585344.db2.gz HPRZBRVEZJPGFG-OAHLLOKOSA-N 1 3 388.354 1.014 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000153617149 531170138 /nfs/dbraw/zinc/17/01/38/531170138.db2.gz BKBNDGMEEOVXDB-UHFFFAOYSA-N 1 3 391.347 1.935 20 0 GDADHO Cc1cc(Br)cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526131655 531308232 /nfs/dbraw/zinc/30/82/32/531308232.db2.gz PFIZSAACKQZRGU-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnc(SC)s1 ZINC000527101947 531314358 /nfs/dbraw/zinc/31/43/58/531314358.db2.gz XHUNLGSYGAPURG-CYBMUJFWSA-N 1 3 386.591 1.818 20 0 GDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nnc(SC)s1 ZINC000527101947 531314364 /nfs/dbraw/zinc/31/43/64/531314364.db2.gz XHUNLGSYGAPURG-CYBMUJFWSA-N 1 3 386.591 1.818 20 0 GDADHO Cn1ncc(Br)c1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000278523092 531366069 /nfs/dbraw/zinc/36/60/69/531366069.db2.gz QOHZTQNOUQEJDP-UHFFFAOYSA-N 1 3 393.333 1.880 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000451231030 531571799 /nfs/dbraw/zinc/57/17/99/531571799.db2.gz PASNVYKYISJUJV-CHWSQXEVSA-N 1 3 386.436 1.618 20 0 GDADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638621665 531662468 /nfs/dbraw/zinc/66/24/68/531662468.db2.gz XDOPRLZWLYRLEV-HNNXBMFYSA-N 1 3 382.306 1.818 20 0 GDADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638621665 531662476 /nfs/dbraw/zinc/66/24/76/531662476.db2.gz XDOPRLZWLYRLEV-HNNXBMFYSA-N 1 3 382.306 1.818 20 0 GDADHO NS(=O)(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H]2CO)ccc1Cl ZINC000631068086 531996582 /nfs/dbraw/zinc/99/65/82/531996582.db2.gz MHKVBIQGQHQEBC-AWEZNQCLSA-N 1 3 375.922 1.314 20 0 GDADHO NS(=O)(=O)c1cc(CNCCCC[N@H+]2CCC[C@H]2CO)ccc1Cl ZINC000631068086 531996586 /nfs/dbraw/zinc/99/65/86/531996586.db2.gz MHKVBIQGQHQEBC-AWEZNQCLSA-N 1 3 375.922 1.314 20 0 GDADHO CN(CCCOc1cccc(I)c1)CCOCC[NH3+] ZINC000600737586 532053238 /nfs/dbraw/zinc/05/32/38/532053238.db2.gz WOWCBABMSHDNJU-UHFFFAOYSA-N 1 3 378.254 1.967 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000738410719 598520802 /nfs/dbraw/zinc/52/08/02/598520802.db2.gz MOGAQVDLISHWOC-KRWDZBQOSA-N 1 3 393.499 1.491 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000738410719 598520803 /nfs/dbraw/zinc/52/08/03/598520803.db2.gz MOGAQVDLISHWOC-KRWDZBQOSA-N 1 3 393.499 1.491 20 0 GDADHO COc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000821809328 599454778 /nfs/dbraw/zinc/45/47/78/599454778.db2.gz NKDLVRBZCNFKOM-UHFFFAOYSA-N 1 3 399.543 1.915 20 0 GDADHO COc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000821809328 599454780 /nfs/dbraw/zinc/45/47/80/599454780.db2.gz NKDLVRBZCNFKOM-UHFFFAOYSA-N 1 3 399.543 1.915 20 0 GDADHO CN(C)C[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000529389265 649943045 /nfs/dbraw/zinc/94/30/45/649943045.db2.gz VHMSSOXWLZHWQP-XJKSGUPXSA-N 1 3 388.343 1.880 20 0 GDADHO CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000820076096 606205024 /nfs/dbraw/zinc/20/50/24/606205024.db2.gz AGFZCGAKLPLDST-MRXNPFEDSA-N 1 3 387.536 1.453 20 0 GDADHO CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000820076096 606205025 /nfs/dbraw/zinc/20/50/25/606205025.db2.gz AGFZCGAKLPLDST-MRXNPFEDSA-N 1 3 387.536 1.453 20 0 GDADHO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCN(C)C)C1CC[NH+](C)CC1 ZINC000917657041 660218952 /nfs/dbraw/zinc/21/89/52/660218952.db2.gz PKQKDKOIXYFAKH-UHFFFAOYSA-N 1 3 377.942 1.028 20 0 GDADHO C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000627489523 653075855 /nfs/dbraw/zinc/07/58/55/653075855.db2.gz DRMPTKYUCIXLBZ-XHDPSFHLSA-N 1 3 387.311 1.533 20 0 GDADHO O=S(=O)([N-]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1F ZINC000647796524 653634750 /nfs/dbraw/zinc/63/47/50/653634750.db2.gz COFKYZDCXNPRGZ-MBNYWOFBSA-N 1 3 375.897 1.735 20 0 GDADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)nc1F ZINC000867124021 655998739 /nfs/dbraw/zinc/99/87/39/655998739.db2.gz HKINGEXPKNUZMQ-UHFFFAOYSA-N 1 3 378.901 1.521 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Br)cn1 ZINC000875713594 656555394 /nfs/dbraw/zinc/55/53/94/656555394.db2.gz OWYLAADZVGULIW-ZDUSSCGKSA-N 1 3 386.338 1.915 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Br)cn1 ZINC000875713594 656555400 /nfs/dbraw/zinc/55/54/00/656555400.db2.gz OWYLAADZVGULIW-ZDUSSCGKSA-N 1 3 386.338 1.915 20 0 GDADHO C[C@@H](CNC(=O)[C@H](N)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000884234644 657339149 /nfs/dbraw/zinc/33/91/49/657339149.db2.gz AEPVUMGCSPBGFS-XJKSGUPXSA-N 1 3 383.334 1.449 20 0 GDADHO CN(C)Cc1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164717688 720200781 /nfs/dbraw/zinc/20/07/81/720200781.db2.gz WBEGIMLJXZNIJX-LJQANCHMSA-N 1 3 399.543 1.488 20 0 GDADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc3c(n2)CCNC3)CC1 ZINC001164823942 720301685 /nfs/dbraw/zinc/30/16/85/720301685.db2.gz QUCHCAPYUMEXAK-MOPGFXCFSA-N 1 3 384.528 1.034 20 0 GDADHO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894073 721388482 /nfs/dbraw/zinc/38/84/82/721388482.db2.gz XEALEZJJZGANTF-UGKGYDQZSA-N 1 3 385.556 1.493 20 0 GDADHO C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926115 948988541 /nfs/dbraw/zinc/98/85/41/948988541.db2.gz ISYFENHCBDEXJB-LBPRGKRZSA-N 1 3 379.534 1.500 20 0 GDADHO C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926115 948988545 /nfs/dbraw/zinc/98/85/45/948988545.db2.gz ISYFENHCBDEXJB-LBPRGKRZSA-N 1 3 379.534 1.500 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733317 950103967 /nfs/dbraw/zinc/10/39/67/950103967.db2.gz YQQDSESPGIMEKC-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733317 950103986 /nfs/dbraw/zinc/10/39/86/950103986.db2.gz YQQDSESPGIMEKC-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574521032 950766167 /nfs/dbraw/zinc/76/61/67/950766167.db2.gz COCNKHFVDUZTCL-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574521032 950766185 /nfs/dbraw/zinc/76/61/85/950766185.db2.gz COCNKHFVDUZTCL-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108345 951924688 /nfs/dbraw/zinc/92/46/88/951924688.db2.gz LNOFVSLGTMMPNT-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575108345 951924694 /nfs/dbraw/zinc/92/46/94/951924694.db2.gz LNOFVSLGTMMPNT-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108345 951924699 /nfs/dbraw/zinc/92/46/99/951924699.db2.gz LNOFVSLGTMMPNT-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575108345 951924705 /nfs/dbraw/zinc/92/47/05/951924705.db2.gz LNOFVSLGTMMPNT-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575108414 951924812 /nfs/dbraw/zinc/92/48/12/951924812.db2.gz MEKKLXAMDOMABX-HNNXBMFYSA-N 1 3 383.500 1.432 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575109258 951929914 /nfs/dbraw/zinc/92/99/14/951929914.db2.gz QMDRJURMQLCOAX-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575109258 951929920 /nfs/dbraw/zinc/92/99/20/951929920.db2.gz QMDRJURMQLCOAX-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234670 953204570 /nfs/dbraw/zinc/20/45/70/953204570.db2.gz FQUAIDPTJWWGAU-WMZOPIPTSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234670 953204572 /nfs/dbraw/zinc/20/45/72/953204572.db2.gz FQUAIDPTJWWGAU-WMZOPIPTSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234670 953204574 /nfs/dbraw/zinc/20/45/74/953204574.db2.gz FQUAIDPTJWWGAU-WMZOPIPTSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234670 953204576 /nfs/dbraw/zinc/20/45/76/953204576.db2.gz FQUAIDPTJWWGAU-WMZOPIPTSA-N 1 3 383.500 1.147 20 0 GDADHO Cc1c(Br)cccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130526654 531062030 /nfs/dbraw/zinc/06/20/30/531062030.db2.gz WWWJASRKXPGWBD-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO C[C@H](NCCCNS(=O)(=O)c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000423105100 532072121 /nfs/dbraw/zinc/07/21/21/532072121.db2.gz NCPVKYBGSXAQJR-STQMWFEESA-N 1 3 390.347 1.705 20 0 GDADHO C[C@H](N)C[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423104362 532072285 /nfs/dbraw/zinc/07/22/85/532072285.db2.gz LYVWZDVWMQGBHJ-RYUDHWBXSA-N 1 3 378.336 1.833 20 0 GDADHO CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccnc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000826023145 607512536 /nfs/dbraw/zinc/51/25/36/607512536.db2.gz XZESJNWSCDPMPA-UHFFFAOYSA-N 1 3 398.559 1.890 20 0 GDADHO CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000826023145 607512538 /nfs/dbraw/zinc/51/25/38/607512538.db2.gz XZESJNWSCDPMPA-UHFFFAOYSA-N 1 3 398.559 1.890 20 0 GDADHO CC1CC[NH+](C2CCC([NH2+]C[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)CC2)CC1 ZINC000824957653 607753705 /nfs/dbraw/zinc/75/37/05/607753705.db2.gz YPUMRTCZQSKZBZ-KLAILNCOSA-N 1 3 399.547 1.738 20 0 GDADHO CC1CC[NH+](C2CCC([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)CC2)CC1 ZINC000824957653 607753706 /nfs/dbraw/zinc/75/37/06/607753706.db2.gz YPUMRTCZQSKZBZ-KLAILNCOSA-N 1 3 399.547 1.738 20 0 GDADHO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423101461 646114575 /nfs/dbraw/zinc/11/45/75/646114575.db2.gz CYJWODMBFOPONC-GXTWGEPZSA-N 1 3 390.347 1.753 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000516114742 648513454 /nfs/dbraw/zinc/51/34/54/648513454.db2.gz UXRIFDASNVCDCU-STQMWFEESA-N 1 3 386.436 1.761 20 0 GDADHO Cc1ccc(C[C@H](CO)CNC[C@@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039566 651088764 /nfs/dbraw/zinc/08/87/64/651088764.db2.gz QQUGPRKPYDQROX-DOTOQJQBSA-N 1 3 385.346 1.953 20 0 GDADHO Cc1ccc(C[C@H](CO)CNC[C@@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039566 651088766 /nfs/dbraw/zinc/08/87/66/651088766.db2.gz QQUGPRKPYDQROX-DOTOQJQBSA-N 1 3 385.346 1.953 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2COc3cccc(Br)c3C2)C1 ZINC000873223189 656389681 /nfs/dbraw/zinc/38/96/81/656389681.db2.gz LNZBFNXYOGROJT-CHWSQXEVSA-N 1 3 382.302 1.540 20 0 GDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(N)nc(Br)c3)CC2)CC1 ZINC000874256225 656455953 /nfs/dbraw/zinc/45/59/53/656455953.db2.gz HWIKJVDNYGDIFE-UHFFFAOYSA-N 1 3 396.333 1.715 20 0 GDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H](N)c2ccc(Br)cc2)CC1 ZINC000884199972 657334303 /nfs/dbraw/zinc/33/43/03/657334303.db2.gz PKDJYTSUXDYNRS-QGZVFWFLSA-N 1 3 397.361 1.839 20 0 GDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H](N)c2ccc(Br)cc2)CC1 ZINC000884199972 657334308 /nfs/dbraw/zinc/33/43/08/657334308.db2.gz PKDJYTSUXDYNRS-QGZVFWFLSA-N 1 3 397.361 1.839 20 0 GDADHO CC(C)(C)NS(=O)(=O)C1([C@H](O)C[NH2+]CCCN2CCCCC2)CCC1 ZINC000899861543 659062337 /nfs/dbraw/zinc/06/23/37/659062337.db2.gz UBAGVPDJCGPGIO-MRXNPFEDSA-N 1 3 375.579 1.454 20 0 GDADHO [NH3+]CCCC[C@@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404778 659254124 /nfs/dbraw/zinc/25/41/24/659254124.db2.gz ZMYWDNBVRUHWFG-WMLDXEAASA-N 1 3 375.485 1.501 20 0 GDADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(CN(C)C)ccn1)C2 ZINC001164431729 718971114 /nfs/dbraw/zinc/97/11/14/718971114.db2.gz ASZMOTFRORCPBO-IRXDYDNUSA-N 1 3 386.418 1.665 20 0 GDADHO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@H]3C2)cn1 ZINC001164764056 721162872 /nfs/dbraw/zinc/16/28/72/721162872.db2.gz GQUMFGFICVVMBQ-WOJBJXKFSA-N 1 3 395.555 1.525 20 0 GDADHO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@H]3C2)cn1 ZINC001164764056 721162882 /nfs/dbraw/zinc/16/28/82/721162882.db2.gz GQUMFGFICVVMBQ-WOJBJXKFSA-N 1 3 395.555 1.525 20 0 GDADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164896940 721519391 /nfs/dbraw/zinc/51/93/91/721519391.db2.gz CSCJVBQKYHKKRU-MJGOQNOKSA-N 1 3 398.486 1.367 20 0 GDADHO c1cc(CN2CCOCC3(CCN(c4ncc5c(n4)CC[NH2+]C5)CC3)C2)ccn1 ZINC001164960540 722053446 /nfs/dbraw/zinc/05/34/46/722053446.db2.gz RSNFPOJIWWIXBD-UHFFFAOYSA-N 1 3 394.523 1.636 20 0 GDADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824413640 946697525 /nfs/dbraw/zinc/69/75/25/946697525.db2.gz NYBRAFHZZABPMU-QGZVFWFLSA-N 1 3 398.559 1.057 20 0 GDADHO c1cc(-c2nn[nH]n2)ccc1CN1CCC([NH2+]CCCCN2CCOCC2)CC1 ZINC000826514601 948441109 /nfs/dbraw/zinc/44/11/09/948441109.db2.gz WZZXLYROFZNFBN-UHFFFAOYSA-N 1 3 399.543 1.533 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716855 949713333 /nfs/dbraw/zinc/71/33/33/949713333.db2.gz RLPHURBRZUGJRC-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716855 949713351 /nfs/dbraw/zinc/71/33/51/949713351.db2.gz RLPHURBRZUGJRC-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716855 949713365 /nfs/dbraw/zinc/71/33/65/949713365.db2.gz RLPHURBRZUGJRC-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716855 949713378 /nfs/dbraw/zinc/71/33/78/949713378.db2.gz RLPHURBRZUGJRC-DZGCQCFKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204725 950473266 /nfs/dbraw/zinc/47/32/66/950473266.db2.gz BBJWQCPMSWFCHR-UONOGXRCSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204725 950473278 /nfs/dbraw/zinc/47/32/78/950473278.db2.gz BBJWQCPMSWFCHR-UONOGXRCSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204800 950479863 /nfs/dbraw/zinc/47/98/63/950479863.db2.gz CORCUCHFHIJKDE-ZIAGYGMSSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204800 950479869 /nfs/dbraw/zinc/47/98/69/950479869.db2.gz CORCUCHFHIJKDE-ZIAGYGMSSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575092928 951794206 /nfs/dbraw/zinc/79/42/06/951794206.db2.gz GAXBSRFPMRFUKB-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001575099233 951829637 /nfs/dbraw/zinc/82/96/37/951829637.db2.gz JDOJWGNWEAOKMG-LBPRGKRZSA-N 1 3 377.518 1.349 20 0 GDADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106851 951909497 /nfs/dbraw/zinc/90/94/97/951909497.db2.gz VSEFAUBXOQJVMY-MRXNPFEDSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106851 951909498 /nfs/dbraw/zinc/90/94/98/951909498.db2.gz VSEFAUBXOQJVMY-MRXNPFEDSA-N 1 3 385.516 1.585 20 0 GDADHO C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001571234510 953202810 /nfs/dbraw/zinc/20/28/10/953202810.db2.gz ABBRHHFGNMRFAN-KDYLLFBJSA-N 1 3 383.500 1.193 20 0 GDADHO C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001571234510 953202812 /nfs/dbraw/zinc/20/28/12/953202812.db2.gz ABBRHHFGNMRFAN-KDYLLFBJSA-N 1 3 383.500 1.193 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000130566964 531061970 /nfs/dbraw/zinc/06/19/70/531061970.db2.gz CFRZSTMGRZAHMX-UHFFFAOYSA-N 1 3 375.300 1.884 20 0 GDADHO Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1Br ZINC000130576211 531062562 /nfs/dbraw/zinc/06/25/62/531062562.db2.gz XEWYZNPUAKPUQE-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457464 531228843 /nfs/dbraw/zinc/22/88/43/531228843.db2.gz OHOIKBCAFYYVPT-CHWSQXEVSA-N 1 3 388.452 1.864 20 0 GDADHO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457464 531228848 /nfs/dbraw/zinc/22/88/48/531228848.db2.gz OHOIKBCAFYYVPT-CHWSQXEVSA-N 1 3 388.452 1.864 20 0 GDADHO C[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680654 531461817 /nfs/dbraw/zinc/46/18/17/531461817.db2.gz NJUDRTRXCAVXQG-AWEZNQCLSA-N 1 3 384.318 1.957 20 0 GDADHO C[N@@H+](CCOc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680654 531461819 /nfs/dbraw/zinc/46/18/19/531461819.db2.gz NJUDRTRXCAVXQG-AWEZNQCLSA-N 1 3 384.318 1.957 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000451231033 531570651 /nfs/dbraw/zinc/57/06/51/531570651.db2.gz PASNVYKYISJUJV-STQMWFEESA-N 1 3 386.436 1.618 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000428229532 532201524 /nfs/dbraw/zinc/20/15/24/532201524.db2.gz OVHLVFQPUOODCO-AWEZNQCLSA-N 1 3 385.350 1.615 20 0 GDADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430740022 532256460 /nfs/dbraw/zinc/25/64/60/532256460.db2.gz IWVSCUAXJYYHRT-LLVKDONJSA-N 1 3 394.335 1.325 20 0 GDADHO Cc1c(Br)cccc1C[C@H](CO)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000567873441 650926313 /nfs/dbraw/zinc/92/63/13/650926313.db2.gz VVTPWNQBFICBOM-YOEHRIQHSA-N 1 3 385.346 1.953 20 0 GDADHO Cc1c(Br)cccc1C[C@H](CO)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000567873441 650926314 /nfs/dbraw/zinc/92/63/14/650926314.db2.gz VVTPWNQBFICBOM-YOEHRIQHSA-N 1 3 385.346 1.953 20 0 GDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631169016 653230664 /nfs/dbraw/zinc/23/06/64/653230664.db2.gz ABBULFPHIATSMI-ZDUSSCGKSA-N 1 3 376.954 1.349 20 0 GDADHO COc1cc([C@H](C)NCCN2CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000817943603 655362783 /nfs/dbraw/zinc/36/27/83/655362783.db2.gz PKMVAXIKQDLQCH-LBPRGKRZSA-N 1 3 377.457 1.247 20 0 GDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884589 656251806 /nfs/dbraw/zinc/25/18/06/656251806.db2.gz AVOCCHZAZUXVIN-DOTOQJQBSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884589 656251809 /nfs/dbraw/zinc/25/18/09/656251809.db2.gz AVOCCHZAZUXVIN-DOTOQJQBSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884589 656251811 /nfs/dbraw/zinc/25/18/11/656251811.db2.gz AVOCCHZAZUXVIN-DOTOQJQBSA-N 1 3 395.345 1.734 20 0 GDADHO Cn1ncc(I)c1CNCCCC[NH+]1CCN(C)CC1 ZINC000894174774 658516004 /nfs/dbraw/zinc/51/60/04/658516004.db2.gz YJSYLPLNWYGVKD-UHFFFAOYSA-N 1 3 391.301 1.142 20 0 GDADHO [NH3+]CCCC[C@@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404777 659253939 /nfs/dbraw/zinc/25/39/39/659253939.db2.gz ZMYWDNBVRUHWFG-RHSMWYFYSA-N 1 3 375.485 1.501 20 0 GDADHO [NH3+][C@@H]1CC[C@H](CN2CCC(n3nncc3I)CC2)C1 ZINC000903463974 659315897 /nfs/dbraw/zinc/31/58/97/659315897.db2.gz VFQSRFGMUPHDLW-WDEREUQCSA-N 1 3 375.258 1.647 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822031 720296510 /nfs/dbraw/zinc/29/65/10/720296510.db2.gz MLQKGAWZLJCWIP-MSOLQXFVSA-N 1 3 386.544 1.763 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822041 720296796 /nfs/dbraw/zinc/29/67/96/720296796.db2.gz MLQKGAWZLJCWIP-ZWKOTPCHSA-N 1 3 386.544 1.763 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574153939 950157041 /nfs/dbraw/zinc/15/70/41/950157041.db2.gz YETQMTJOJYBTKZ-SJORKVTESA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574153939 950157052 /nfs/dbraw/zinc/15/70/52/950157052.db2.gz YETQMTJOJYBTKZ-SJORKVTESA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574153939 950157065 /nfs/dbraw/zinc/15/70/65/950157065.db2.gz YETQMTJOJYBTKZ-SJORKVTESA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574153939 950157076 /nfs/dbraw/zinc/15/70/76/950157076.db2.gz YETQMTJOJYBTKZ-SJORKVTESA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574153936 950157414 /nfs/dbraw/zinc/15/74/14/950157414.db2.gz YETQMTJOJYBTKZ-DLBZAZTESA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574153936 950157431 /nfs/dbraw/zinc/15/74/31/950157431.db2.gz YETQMTJOJYBTKZ-DLBZAZTESA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574153936 950157441 /nfs/dbraw/zinc/15/74/41/950157441.db2.gz YETQMTJOJYBTKZ-DLBZAZTESA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574153936 950157454 /nfs/dbraw/zinc/15/74/54/950157454.db2.gz YETQMTJOJYBTKZ-DLBZAZTESA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113626 951943492 /nfs/dbraw/zinc/94/34/92/951943492.db2.gz CIJGTKVAUSKHAE-RDJZCZTQSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113626 951943495 /nfs/dbraw/zinc/94/34/95/951943495.db2.gz CIJGTKVAUSKHAE-RDJZCZTQSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113626 951943499 /nfs/dbraw/zinc/94/34/99/951943499.db2.gz CIJGTKVAUSKHAE-RDJZCZTQSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113626 951943502 /nfs/dbraw/zinc/94/35/02/951943502.db2.gz CIJGTKVAUSKHAE-RDJZCZTQSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114016 951951715 /nfs/dbraw/zinc/95/17/15/951951715.db2.gz KNQZZDYDOQMFQM-MRXNPFEDSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575114016 951951718 /nfs/dbraw/zinc/95/17/18/951951718.db2.gz KNQZZDYDOQMFQM-MRXNPFEDSA-N 1 3 385.516 1.585 20 0 GDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115122 951963355 /nfs/dbraw/zinc/96/33/55/951963355.db2.gz UXDFTZRMYZKHQO-CRAIPNDOSA-N 1 3 385.516 1.581 20 0 GDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115122 951963359 /nfs/dbraw/zinc/96/33/59/951963359.db2.gz UXDFTZRMYZKHQO-CRAIPNDOSA-N 1 3 385.516 1.581 20 0 GDADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571235216 953210700 /nfs/dbraw/zinc/21/07/00/953210700.db2.gz XITKBYLOANCMJW-ZLPCBKJTSA-N 1 3 383.500 1.288 20 0 GDADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571235216 953210702 /nfs/dbraw/zinc/21/07/02/953210702.db2.gz XITKBYLOANCMJW-ZLPCBKJTSA-N 1 3 383.500 1.288 20 0 GDADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571235216 953210705 /nfs/dbraw/zinc/21/07/05/953210705.db2.gz XITKBYLOANCMJW-ZLPCBKJTSA-N 1 3 383.500 1.288 20 0 GDADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571235216 953210708 /nfs/dbraw/zinc/21/07/08/953210708.db2.gz XITKBYLOANCMJW-ZLPCBKJTSA-N 1 3 383.500 1.288 20 0 GDADHO Cc1cc(N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571252448 953328253 /nfs/dbraw/zinc/32/82/53/953328253.db2.gz MXJPCCNUXGWHEA-AWEZNQCLSA-N 1 3 384.488 1.139 20 0 GDADHO CSc1ccc(Cl)cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130568977 531062332 /nfs/dbraw/zinc/06/23/32/531062332.db2.gz HQNRBPPOBFKRIN-UHFFFAOYSA-N 1 3 386.949 1.952 20 0 GDADHO C[C@H](Cn1cc(Br)cn1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414973087 531464031 /nfs/dbraw/zinc/46/40/31/531464031.db2.gz KEEWVVTWDDIMRL-ZYHUDNBSSA-N 1 3 384.244 1.460 20 0 GDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000422905701 532070008 /nfs/dbraw/zinc/07/00/08/532070008.db2.gz ISZDCGAAZNSYRV-YUTCNCBUSA-N 1 3 376.238 1.500 20 0 GDADHO CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736530832 598520023 /nfs/dbraw/zinc/52/00/23/598520023.db2.gz NEHFQQAWWAUFKT-KRWDZBQOSA-N 1 3 395.515 1.737 20 0 GDADHO CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736530832 598520024 /nfs/dbraw/zinc/52/00/24/598520024.db2.gz NEHFQQAWWAUFKT-KRWDZBQOSA-N 1 3 395.515 1.737 20 0 GDADHO c1sc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1-c1nnn[n-]1 ZINC000823757034 606216432 /nfs/dbraw/zinc/21/64/32/606216432.db2.gz JTWBZLMFRVAZAP-UHFFFAOYSA-N 1 3 384.513 1.625 20 0 GDADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1nc2ccccc2s1 ZINC000564208454 650752099 /nfs/dbraw/zinc/75/20/99/650752099.db2.gz XPXSNOPIEKBLKY-UHFFFAOYSA-N 1 3 382.555 1.943 20 0 GDADHO COC[C@H](CCC[NH3+])NCC(=O)Nc1ccc(I)cc1 ZINC000423098427 646112966 /nfs/dbraw/zinc/11/29/66/646112966.db2.gz CSQPBIDONNUSGE-ZDUSSCGKSA-N 1 3 391.253 1.573 20 0 GDADHO CN(CCC[NH+](C)C)CCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000617766292 652976304 /nfs/dbraw/zinc/97/63/04/652976304.db2.gz FFVRPLQDIIOTDG-UHFFFAOYSA-N 1 3 382.306 1.939 20 0 GDADHO O=C(NCCCNC[C@@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000629559483 653171852 /nfs/dbraw/zinc/17/18/52/653171852.db2.gz SOXTVEYFHVGKDA-MRXNPFEDSA-N 1 3 384.318 1.615 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635000991 653503905 /nfs/dbraw/zinc/50/39/05/653503905.db2.gz AEVCXCPKVLTYLG-FPRZBMBHSA-N 1 3 378.314 1.874 20 0 GDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000923311376 656544103 /nfs/dbraw/zinc/54/41/03/656544103.db2.gz WETMUXUQDSMEFW-BPUTZDHNSA-N 1 3 382.302 1.950 20 0 GDADHO COCCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000877664401 656686880 /nfs/dbraw/zinc/68/68/80/656686880.db2.gz NXOGVBIVFPOFHB-UHFFFAOYSA-N 1 3 389.949 1.778 20 0 GDADHO CCCN1CCC([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000899860646 659062498 /nfs/dbraw/zinc/06/24/98/659062498.db2.gz LPTVNNWHUAFEPR-INIZCTEOSA-N 1 3 375.579 1.452 20 0 GDADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1cc(CN(C)C)ccn1)C2 ZINC001164431728 718970447 /nfs/dbraw/zinc/97/04/47/718970447.db2.gz ASZMOTFRORCPBO-IAGOWNOFSA-N 1 3 386.418 1.665 20 0 GDADHO COCCN(C)CCC[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157917 947496394 /nfs/dbraw/zinc/49/63/94/947496394.db2.gz RHYBVEZMNPCHHR-UHFFFAOYSA-N 1 3 387.532 1.389 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574151222 950064453 /nfs/dbraw/zinc/06/44/53/950064453.db2.gz NUAZVKIMKXNVBB-ROUUACIJSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151222 950064476 /nfs/dbraw/zinc/06/44/76/950064476.db2.gz NUAZVKIMKXNVBB-ROUUACIJSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574151222 950064495 /nfs/dbraw/zinc/06/44/95/950064495.db2.gz NUAZVKIMKXNVBB-ROUUACIJSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151222 950064514 /nfs/dbraw/zinc/06/45/14/950064514.db2.gz NUAZVKIMKXNVBB-ROUUACIJSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576194187 950331031 /nfs/dbraw/zinc/33/10/31/950331031.db2.gz XMCWOUCOYQDZOG-UONOGXRCSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576194187 950331052 /nfs/dbraw/zinc/33/10/52/950331052.db2.gz XMCWOUCOYQDZOG-UONOGXRCSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CC[NH+](C)C ZINC001575907544 950335161 /nfs/dbraw/zinc/33/51/61/950335161.db2.gz OYROBHZLFQIPES-BLLLJJGKSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524384 950856866 /nfs/dbraw/zinc/85/68/66/950856866.db2.gz WBCVBYJIZAGJRP-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524384 950856881 /nfs/dbraw/zinc/85/68/81/950856881.db2.gz WBCVBYJIZAGJRP-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077278 951666492 /nfs/dbraw/zinc/66/64/92/951666492.db2.gz BXJLVFVQESEZEZ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077278 951666497 /nfs/dbraw/zinc/66/64/97/951666497.db2.gz BXJLVFVQESEZEZ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077278 951666502 /nfs/dbraw/zinc/66/65/02/951666502.db2.gz BXJLVFVQESEZEZ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077278 951666508 /nfs/dbraw/zinc/66/65/08/951666508.db2.gz BXJLVFVQESEZEZ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)CCC[NH+](C)C ZINC001575080736 951714032 /nfs/dbraw/zinc/71/40/32/951714032.db2.gz NGKOVONEWSIGAI-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)CCC[NH+](C)C ZINC001575080736 951714039 /nfs/dbraw/zinc/71/40/39/951714039.db2.gz NGKOVONEWSIGAI-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575093768 951799848 /nfs/dbraw/zinc/79/98/48/951799848.db2.gz KFMSIWGKVFCCFQ-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575095997 951817923 /nfs/dbraw/zinc/81/79/23/951817923.db2.gz YGDMLFKRSQFNOT-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[NH+](C)C ZINC001575103876 951879966 /nfs/dbraw/zinc/87/99/66/951879966.db2.gz WWONKVJBBLVQII-SUMWQHHRSA-N 1 3 391.495 1.434 20 0 GDADHO C[NH+]1CCC(CNCc2ccc(Br)cn2)(N2CCOCC2)CC1 ZINC000414476974 531458579 /nfs/dbraw/zinc/45/85/79/531458579.db2.gz AVCXBRJDFCSPSJ-UHFFFAOYSA-N 1 3 383.334 1.730 20 0 GDADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662927881 531699127 /nfs/dbraw/zinc/69/91/27/531699127.db2.gz HWECUBUXLGPLLW-UHFFFAOYSA-N 1 3 399.333 1.147 20 0 GDADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000627102784 531945032 /nfs/dbraw/zinc/94/50/32/531945032.db2.gz TWRNSIOTSFPYCI-DOMZBBRYSA-N 1 3 375.300 1.884 20 0 GDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108106 532071857 /nfs/dbraw/zinc/07/18/57/532071857.db2.gz SSXDJTGGLASJGY-GUTXKFCHSA-N 1 3 375.922 1.350 20 0 GDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCNS(=O)(=O)c1ccccc1Br ZINC000423100527 646113974 /nfs/dbraw/zinc/11/39/74/646113974.db2.gz GZWZNVLTAGTRHV-GXTWGEPZSA-N 1 3 390.347 1.705 20 0 GDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000654725316 653944282 /nfs/dbraw/zinc/94/42/82/653944282.db2.gz GCFINIDEQPAKLK-UHFFFAOYSA-N 1 3 398.349 1.985 20 0 GDADHO C[NH+](C)CCOc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000676570603 654646052 /nfs/dbraw/zinc/64/60/52/654646052.db2.gz OWEBPCWNADBNHA-UHFFFAOYSA-N 1 3 383.539 1.757 20 0 GDADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000923484117 656555104 /nfs/dbraw/zinc/55/51/04/656555104.db2.gz VXZPLBXBVPGAJJ-ZDUSSCGKSA-N 1 3 386.327 1.708 20 0 GDADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164867506 721045403 /nfs/dbraw/zinc/04/54/03/721045403.db2.gz JICINQRIQSFRPA-MSOLQXFVSA-N 1 3 380.496 1.040 20 0 GDADHO C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)n2)CC1 ZINC001164782347 721417213 /nfs/dbraw/zinc/41/72/13/721417213.db2.gz FSNUAHDSMNKDQX-IRXDYDNUSA-N 1 3 384.553 1.858 20 0 GDADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574704340 949385666 /nfs/dbraw/zinc/38/56/66/949385666.db2.gz MQUUVZOAZDUDLK-OAHLLOKOSA-N 1 3 383.500 1.432 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906341 950311226 /nfs/dbraw/zinc/31/12/26/950311226.db2.gz HPIQUUCUVNBDEQ-WMLDXEAASA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906341 950311244 /nfs/dbraw/zinc/31/12/44/950311244.db2.gz HPIQUUCUVNBDEQ-WMLDXEAASA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575088550 951739978 /nfs/dbraw/zinc/73/99/78/951739978.db2.gz BECSTDKKQCQIEX-ZDUSSCGKSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094750 951807150 /nfs/dbraw/zinc/80/71/50/951807150.db2.gz OYYLAMHLYAVFDG-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094750 951807161 /nfs/dbraw/zinc/80/71/61/951807161.db2.gz OYYLAMHLYAVFDG-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094750 951807169 /nfs/dbraw/zinc/80/71/69/951807169.db2.gz OYYLAMHLYAVFDG-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094750 951807177 /nfs/dbraw/zinc/80/71/77/951807177.db2.gz OYYLAMHLYAVFDG-VKJFTORMSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[NH+](C)C ZINC001575103870 951879838 /nfs/dbraw/zinc/87/98/38/951879838.db2.gz WWONKVJBBLVQII-CXAGYDPISA-N 1 3 391.495 1.434 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575110206 951937506 /nfs/dbraw/zinc/93/75/06/951937506.db2.gz YBYSCHNDTATWOO-DAYGRLMNSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575110206 951937513 /nfs/dbraw/zinc/93/75/13/951937513.db2.gz YBYSCHNDTATWOO-DAYGRLMNSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575110206 951937520 /nfs/dbraw/zinc/93/75/20/951937520.db2.gz YBYSCHNDTATWOO-DAYGRLMNSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575110206 951937527 /nfs/dbraw/zinc/93/75/27/951937527.db2.gz YBYSCHNDTATWOO-DAYGRLMNSA-N 1 3 385.516 1.534 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000130591717 531062165 /nfs/dbraw/zinc/06/21/65/531062165.db2.gz AQFMPBDDIPBBHO-UHFFFAOYSA-N 1 3 375.300 1.884 20 0 GDADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000130555837 531062464 /nfs/dbraw/zinc/06/24/64/531062464.db2.gz AFKHSUJNIVFSFR-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO CN1CCC(C[NH2+]Cc2cncc(Br)c2)(N2CCOCC2)CC1 ZINC000414484127 531457875 /nfs/dbraw/zinc/45/78/75/531457875.db2.gz NSLUTAIFRUJUBD-UHFFFAOYSA-N 1 3 383.334 1.730 20 0 GDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000422905699 532069880 /nfs/dbraw/zinc/06/98/80/532069880.db2.gz ISZDCGAAZNSYRV-IACUBPJLSA-N 1 3 376.238 1.500 20 0 GDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736761530 598932650 /nfs/dbraw/zinc/93/26/50/598932650.db2.gz GFPGXFYDUZCECA-UHFFFAOYSA-N 1 3 399.543 1.783 20 0 GDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736761530 598932651 /nfs/dbraw/zinc/93/26/51/598932651.db2.gz GFPGXFYDUZCECA-UHFFFAOYSA-N 1 3 399.543 1.783 20 0 GDADHO O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823672520 606908207 /nfs/dbraw/zinc/90/82/07/606908207.db2.gz FEXHGTGZGNSCNI-IBGZPJMESA-N 1 3 386.500 1.477 20 0 GDADHO C[NH+](C)CCCC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825859485 608379442 /nfs/dbraw/zinc/37/94/42/608379442.db2.gz FZACIFPHKWNGMG-SFHVURJKSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCNS(=O)(=O)c1ccccc1Br ZINC000423100532 646113853 /nfs/dbraw/zinc/11/38/53/646113853.db2.gz GZWZNVLTAGTRHV-TZMCWYRMSA-N 1 3 390.347 1.705 20 0 GDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624392573 653012092 /nfs/dbraw/zinc/01/20/92/653012092.db2.gz UMPYBEVULPKSED-UKRRQHHQSA-N 1 3 379.448 1.896 20 0 GDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639170754 653547991 /nfs/dbraw/zinc/54/79/91/653547991.db2.gz XFSFRNVBEAVSOB-UHFFFAOYSA-N 1 3 388.965 1.445 20 0 GDADHO COC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(Br)c1 ZINC000873223558 656390040 /nfs/dbraw/zinc/39/00/40/656390040.db2.gz QMIPUDJYGOPIHQ-CZUORRHYSA-N 1 3 384.318 1.924 20 0 GDADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925439943 656712608 /nfs/dbraw/zinc/71/26/08/656712608.db2.gz PJCZUTZCLJJGMO-BBWFWOEESA-N 1 3 375.579 1.526 20 0 GDADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@H]2C1 ZINC001164854277 720836915 /nfs/dbraw/zinc/83/69/15/720836915.db2.gz QYMFQYRHEQLZGB-ZWKOTPCHSA-N 1 3 375.517 1.559 20 0 GDADHO COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@H]2C1 ZINC001164854277 720836917 /nfs/dbraw/zinc/83/69/17/720836917.db2.gz QYMFQYRHEQLZGB-ZWKOTPCHSA-N 1 3 375.517 1.559 20 0 GDADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164896938 721519962 /nfs/dbraw/zinc/51/99/62/721519962.db2.gz CSCJVBQKYHKKRU-HKUYNNGSSA-N 1 3 398.486 1.367 20 0 GDADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574702119 949279801 /nfs/dbraw/zinc/27/98/01/949279801.db2.gz HCQVFTKZXDYHCI-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574702119 949279819 /nfs/dbraw/zinc/27/98/19/949279819.db2.gz HCQVFTKZXDYHCI-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574703964 949360444 /nfs/dbraw/zinc/36/04/44/949360444.db2.gz IMQYLWPQSPLCKT-ZDUSSCGKSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574715027 949637306 /nfs/dbraw/zinc/63/73/06/949637306.db2.gz AAMPUIDBINITFN-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574715027 949637313 /nfs/dbraw/zinc/63/73/13/949637313.db2.gz AAMPUIDBINITFN-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205855 950545644 /nfs/dbraw/zinc/54/56/44/950545644.db2.gz QMWKTTNKMMHTHB-IBUXWKBASA-N 1 3 375.502 1.032 20 0 GDADHO C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205855 950545662 /nfs/dbraw/zinc/54/56/62/950545662.db2.gz QMWKTTNKMMHTHB-IBUXWKBASA-N 1 3 375.502 1.032 20 0 GDADHO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576230164 950993249 /nfs/dbraw/zinc/99/32/49/950993249.db2.gz LHHCRAOVYOQQDX-TZMCWYRMSA-N 1 3 389.529 1.349 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079362 951690515 /nfs/dbraw/zinc/69/05/15/951690515.db2.gz DCDBDUXNAXMSBZ-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079362 951690520 /nfs/dbraw/zinc/69/05/20/951690520.db2.gz DCDBDUXNAXMSBZ-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079362 951690525 /nfs/dbraw/zinc/69/05/25/951690525.db2.gz DCDBDUXNAXMSBZ-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079362 951690531 /nfs/dbraw/zinc/69/05/31/951690531.db2.gz DCDBDUXNAXMSBZ-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080047 951702814 /nfs/dbraw/zinc/70/28/14/951702814.db2.gz JUHHTZLYKAGRRT-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080047 951702816 /nfs/dbraw/zinc/70/28/16/951702816.db2.gz JUHHTZLYKAGRRT-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575080397 951708660 /nfs/dbraw/zinc/70/86/60/951708660.db2.gz KVYHGMVFAUKUKH-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575091644 951780657 /nfs/dbraw/zinc/78/06/57/951780657.db2.gz TUMZPBIJUJNCTO-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575091644 951780662 /nfs/dbraw/zinc/78/06/62/951780662.db2.gz TUMZPBIJUJNCTO-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575106849 951906568 /nfs/dbraw/zinc/90/65/68/951906568.db2.gz VSEFAUBXOQJVMY-INIZCTEOSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106849 951906574 /nfs/dbraw/zinc/90/65/74/951906574.db2.gz VSEFAUBXOQJVMY-INIZCTEOSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113384 951939331 /nfs/dbraw/zinc/93/93/31/951939331.db2.gz AIKYXOUFDHUORH-OAHLLOKOSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113384 951939333 /nfs/dbraw/zinc/93/93/33/951939333.db2.gz AIKYXOUFDHUORH-OAHLLOKOSA-N 1 3 385.516 1.441 20 0 GDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC000922394508 1126135248 /nfs/dbraw/zinc/13/52/48/1126135248.db2.gz WWLMJSKGUUCQOJ-FTEYMNFISA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC000922394508 1126135250 /nfs/dbraw/zinc/13/52/50/1126135250.db2.gz WWLMJSKGUUCQOJ-FTEYMNFISA-N 1 3 394.585 1.939 20 0 GDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000422910321 532069792 /nfs/dbraw/zinc/06/97/92/532069792.db2.gz QISPOAZMKDZDEP-DMDPSCGWSA-N 1 3 378.254 1.746 20 0 GDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422864417 532068515 /nfs/dbraw/zinc/06/85/15/532068515.db2.gz VAKDYZRFHKJQIF-RCBQFDQVSA-N 1 3 384.318 1.911 20 0 GDADHO CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)CC1 ZINC000820076095 606204933 /nfs/dbraw/zinc/20/49/33/606204933.db2.gz AGFZCGAKLPLDST-INIZCTEOSA-N 1 3 387.536 1.453 20 0 GDADHO CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CC1 ZINC000820076095 606204935 /nfs/dbraw/zinc/20/49/35/606204935.db2.gz AGFZCGAKLPLDST-INIZCTEOSA-N 1 3 387.536 1.453 20 0 GDADHO CSc1cc(Cl)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000657839161 654167114 /nfs/dbraw/zinc/16/71/14/654167114.db2.gz NSPKMYFCEIJOSZ-UHFFFAOYSA-N 1 3 386.949 1.952 20 0 GDADHO C[C@@H]1C[C@@H](CN2CCC(n3nncc3I)CC2)CC[NH2+]1 ZINC000849352909 655522510 /nfs/dbraw/zinc/52/25/10/655522510.db2.gz SFKYPWQRUITBQG-NEPJUHHUSA-N 1 3 389.285 1.908 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Br)nc2n1CCC2 ZINC000855346295 655692512 /nfs/dbraw/zinc/69/25/12/655692512.db2.gz VMRQPFPEXBZLGE-LBPRGKRZSA-N 1 3 386.338 1.594 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Br)nc2n1CCC2 ZINC000855346295 655692513 /nfs/dbraw/zinc/69/25/13/655692513.db2.gz VMRQPFPEXBZLGE-LBPRGKRZSA-N 1 3 386.338 1.594 20 0 GDADHO CN(CCOCC[NH3+])C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923403323 656549555 /nfs/dbraw/zinc/54/95/55/656549555.db2.gz PNNHFYRGUXCQEK-GFCCVEGCSA-N 1 3 381.698 1.749 20 0 GDADHO C[NH+](C)Cc1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)c2c1OC(F)(F)O2 ZINC000895689529 658720900 /nfs/dbraw/zinc/72/09/00/658720900.db2.gz XLUBCFOBDVYTOV-JOCQHMNTSA-N 1 3 376.425 1.735 20 0 GDADHO [NH3+]C1CCN(c2cccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164745835 720743535 /nfs/dbraw/zinc/74/35/35/720743535.db2.gz WALUQFWEQCFGSR-MSOLQXFVSA-N 1 3 395.511 1.141 20 0 GDADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164908747 721537319 /nfs/dbraw/zinc/53/73/19/721537319.db2.gz QLKAGSOUWJAZCA-IEBWSBKVSA-N 1 3 398.486 1.367 20 0 GDADHO CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857554 944707025 /nfs/dbraw/zinc/70/70/25/944707025.db2.gz VCSUNGXAJKRJQB-SFHVURJKSA-N 1 3 388.516 1.659 20 0 GDADHO CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857554 944707031 /nfs/dbraw/zinc/70/70/31/944707031.db2.gz VCSUNGXAJKRJQB-SFHVURJKSA-N 1 3 388.516 1.659 20 0 GDADHO C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926114 948987860 /nfs/dbraw/zinc/98/78/60/948987860.db2.gz ISYFENHCBDEXJB-GFCCVEGCSA-N 1 3 379.534 1.500 20 0 GDADHO C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926114 948987869 /nfs/dbraw/zinc/98/78/69/948987869.db2.gz ISYFENHCBDEXJB-GFCCVEGCSA-N 1 3 379.534 1.500 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576171817 949783117 /nfs/dbraw/zinc/78/31/17/949783117.db2.gz SVCPZTGQVOKRHP-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576171817 949783135 /nfs/dbraw/zinc/78/31/35/949783135.db2.gz SVCPZTGQVOKRHP-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574522583 950798607 /nfs/dbraw/zinc/79/86/07/950798607.db2.gz KZKDPWCKJWPKLJ-CABCVRRESA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574522583 950798620 /nfs/dbraw/zinc/79/86/20/950798620.db2.gz KZKDPWCKJWPKLJ-CABCVRRESA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575088980 951744788 /nfs/dbraw/zinc/74/47/88/951744788.db2.gz DQCSGUWZXVJQBU-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102988 951872424 /nfs/dbraw/zinc/87/24/24/951872424.db2.gz PZABQMIRLLCQLW-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102988 951872426 /nfs/dbraw/zinc/87/24/26/951872426.db2.gz PZABQMIRLLCQLW-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571235070 953208447 /nfs/dbraw/zinc/20/84/47/953208447.db2.gz RSCRNXPYFYGLSR-SJORKVTESA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571235070 953208450 /nfs/dbraw/zinc/20/84/50/953208450.db2.gz RSCRNXPYFYGLSR-SJORKVTESA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571235070 953208452 /nfs/dbraw/zinc/20/84/52/953208452.db2.gz RSCRNXPYFYGLSR-SJORKVTESA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571235070 953208456 /nfs/dbraw/zinc/20/84/56/953208456.db2.gz RSCRNXPYFYGLSR-SJORKVTESA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571235144 953209011 /nfs/dbraw/zinc/20/90/11/953209011.db2.gz UZCNTKHZTWAXMB-BFYDXBDKSA-N 1 3 383.500 1.193 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571235144 953209014 /nfs/dbraw/zinc/20/90/14/953209014.db2.gz UZCNTKHZTWAXMB-BFYDXBDKSA-N 1 3 383.500 1.193 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571235144 953209018 /nfs/dbraw/zinc/20/90/18/953209018.db2.gz UZCNTKHZTWAXMB-BFYDXBDKSA-N 1 3 383.500 1.193 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571235144 953209021 /nfs/dbraw/zinc/20/90/21/953209021.db2.gz UZCNTKHZTWAXMB-BFYDXBDKSA-N 1 3 383.500 1.193 20 0 GDADHO C[C@@H](NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC[NH+](C)CC1 ZINC000152152735 531146836 /nfs/dbraw/zinc/14/68/36/531146836.db2.gz KOKBWLVKFMEIFZ-CQSZACIVSA-N 1 3 387.571 1.589 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000559913115 531612925 /nfs/dbraw/zinc/61/29/25/531612925.db2.gz DIZQQDFIUNYVDN-CQSZACIVSA-N 1 3 385.350 1.615 20 0 GDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(Br)cn1 ZINC000505790391 531725366 /nfs/dbraw/zinc/72/53/66/531725366.db2.gz QMBUKFBACXEROH-HNNXBMFYSA-N 1 3 386.338 1.520 20 0 GDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(Br)cn1 ZINC000505790391 531725374 /nfs/dbraw/zinc/72/53/74/531725374.db2.gz QMBUKFBACXEROH-HNNXBMFYSA-N 1 3 386.338 1.520 20 0 GDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422864416 532067436 /nfs/dbraw/zinc/06/74/36/532067436.db2.gz VAKDYZRFHKJQIF-MAZHCROVSA-N 1 3 384.318 1.911 20 0 GDADHO CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000735857309 598525618 /nfs/dbraw/zinc/52/56/18/598525618.db2.gz SXWISQPCYUCLNF-QGZVFWFLSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000735857309 598525621 /nfs/dbraw/zinc/52/56/21/598525621.db2.gz SXWISQPCYUCLNF-QGZVFWFLSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000735857309 598525623 /nfs/dbraw/zinc/52/56/23/598525623.db2.gz SXWISQPCYUCLNF-QGZVFWFLSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000735857309 598525624 /nfs/dbraw/zinc/52/56/24/598525624.db2.gz SXWISQPCYUCLNF-QGZVFWFLSA-N 1 3 395.515 1.735 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@H](C[NH2+]CCCCCCC[NH+]1CCCC1)C2 ZINC000738448718 598531750 /nfs/dbraw/zinc/53/17/50/598531750.db2.gz ARDXCRQJRGBTQD-INIZCTEOSA-N 1 3 387.536 1.741 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@H](C[NH2+]CCCCCCC[NH+]1CCCC1)C2 ZINC000738448718 598531752 /nfs/dbraw/zinc/53/17/52/598531752.db2.gz ARDXCRQJRGBTQD-INIZCTEOSA-N 1 3 387.536 1.741 20 0 GDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCNS(=O)(=O)c1ccccc1Br ZINC000423100531 646113790 /nfs/dbraw/zinc/11/37/90/646113790.db2.gz GZWZNVLTAGTRHV-OCCSQVGLSA-N 1 3 390.347 1.705 20 0 GDADHO CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000578986445 651830117 /nfs/dbraw/zinc/83/01/17/651830117.db2.gz XJVPIUXOJSKOOU-CYBMUJFWSA-N 1 3 388.965 1.921 20 0 GDADHO C[N@H+](C[C@H](O)CNC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301721 651987505 /nfs/dbraw/zinc/98/75/05/651987505.db2.gz RPWLEXJVYHLSSZ-MLGOLLRUSA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@H](O)CNC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301721 651987511 /nfs/dbraw/zinc/98/75/11/651987511.db2.gz RPWLEXJVYHLSSZ-MLGOLLRUSA-N 1 3 389.309 1.784 20 0 GDADHO O=S(=O)(NCCCNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629578220 653175517 /nfs/dbraw/zinc/17/55/17/653175517.db2.gz OTDPSPKKYJDBHA-CQSZACIVSA-N 1 3 375.922 1.055 20 0 GDADHO Cc1nccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Br ZINC000666836180 654439153 /nfs/dbraw/zinc/43/91/53/654439153.db2.gz HBBJPVFCUGGKLU-LBPRGKRZSA-N 1 3 386.338 1.968 20 0 GDADHO Cc1nccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Br ZINC000666836180 654439159 /nfs/dbraw/zinc/43/91/59/654439159.db2.gz HBBJPVFCUGGKLU-LBPRGKRZSA-N 1 3 386.338 1.968 20 0 GDADHO C[C@H](CNC(=O)[C@H](N)c1cccc(Br)c1)C[NH+]1CCN(C)CC1 ZINC000870897014 656254163 /nfs/dbraw/zinc/25/41/63/656254163.db2.gz YICISVIGQVOUBX-CZUORRHYSA-N 1 3 383.334 1.449 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2COc3cccc(Br)c3C2)C1 ZINC000873223193 656389728 /nfs/dbraw/zinc/38/97/28/656389728.db2.gz LNZBFNXYOGROJT-QWHCGFSZSA-N 1 3 382.302 1.540 20 0 GDADHO [NH3+]CC1(O)CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923383352 656547985 /nfs/dbraw/zinc/54/79/85/656547985.db2.gz ZNNLVQDECTWKJQ-GFCCVEGCSA-N 1 3 393.709 1.628 20 0 GDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H](O)c1cccc(Br)c1)C2 ZINC000923429120 656552153 /nfs/dbraw/zinc/55/21/53/656552153.db2.gz PQMPYEBXDLGOAE-GUSZCTEKSA-N 1 3 383.286 1.695 20 0 GDADHO N[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000884338581 657348152 /nfs/dbraw/zinc/34/81/52/657348152.db2.gz MNRJROGJCZKTIH-OFLPRAFFSA-N 1 3 395.345 1.782 20 0 GDADHO N[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1 ZINC000884338581 657348160 /nfs/dbraw/zinc/34/81/60/657348160.db2.gz MNRJROGJCZKTIH-OFLPRAFFSA-N 1 3 395.345 1.782 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270765 949601308 /nfs/dbraw/zinc/60/13/08/949601308.db2.gz GBXGTQPYHLBCAW-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270765 949601326 /nfs/dbraw/zinc/60/13/26/949601326.db2.gz GBXGTQPYHLBCAW-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270765 949601342 /nfs/dbraw/zinc/60/13/42/949601342.db2.gz GBXGTQPYHLBCAW-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270765 949601360 /nfs/dbraw/zinc/60/13/60/949601360.db2.gz GBXGTQPYHLBCAW-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718574 949785925 /nfs/dbraw/zinc/78/59/25/949785925.db2.gz ZLDKHFRGWOWEDG-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574720817 949807187 /nfs/dbraw/zinc/80/71/87/949807187.db2.gz HRHYAWHZMOKQDN-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574720817 949807212 /nfs/dbraw/zinc/80/72/12/949807212.db2.gz HRHYAWHZMOKQDN-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574150639 950038089 /nfs/dbraw/zinc/03/80/89/950038089.db2.gz CVVAVAAOWKBUBD-ROUUACIJSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574150639 950038103 /nfs/dbraw/zinc/03/81/03/950038103.db2.gz CVVAVAAOWKBUBD-ROUUACIJSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908241 950355916 /nfs/dbraw/zinc/35/59/16/950355916.db2.gz SYPSOIUXUNTDSB-DYVFJYSZSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574524644 950867336 /nfs/dbraw/zinc/86/73/36/950867336.db2.gz YBDBGGBZQVBKPF-CABCVRRESA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574524644 950867347 /nfs/dbraw/zinc/86/73/47/950867347.db2.gz YBDBGGBZQVBKPF-CABCVRRESA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088488 951739823 /nfs/dbraw/zinc/73/98/23/951739823.db2.gz ACSCDOMGRUJLPK-INIZCTEOSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088488 951739827 /nfs/dbraw/zinc/73/98/27/951739827.db2.gz ACSCDOMGRUJLPK-INIZCTEOSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094748 951807029 /nfs/dbraw/zinc/80/70/29/951807029.db2.gz OYYLAMHLYAVFDG-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575094748 951807038 /nfs/dbraw/zinc/80/70/38/951807038.db2.gz OYYLAMHLYAVFDG-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094748 951807048 /nfs/dbraw/zinc/80/70/48/951807048.db2.gz OYYLAMHLYAVFDG-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575094748 951807056 /nfs/dbraw/zinc/80/70/56/951807056.db2.gz OYYLAMHLYAVFDG-MPGHIAIKSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575107558 951918798 /nfs/dbraw/zinc/91/87/98/951918798.db2.gz FUSNPTZGPQVVFJ-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575107558 951918799 /nfs/dbraw/zinc/91/87/99/951918799.db2.gz FUSNPTZGPQVVFJ-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234679 953204237 /nfs/dbraw/zinc/20/42/37/953204237.db2.gz FTVZRIDXHQENAK-DLBZAZTESA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234679 953204238 /nfs/dbraw/zinc/20/42/38/953204238.db2.gz FTVZRIDXHQENAK-DLBZAZTESA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234679 953204239 /nfs/dbraw/zinc/20/42/39/953204239.db2.gz FTVZRIDXHQENAK-DLBZAZTESA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234679 953204241 /nfs/dbraw/zinc/20/42/41/953204241.db2.gz FTVZRIDXHQENAK-DLBZAZTESA-N 1 3 383.500 1.147 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccccc1I ZINC000103211527 530833224 /nfs/dbraw/zinc/83/32/24/530833224.db2.gz GLUSCOMVCJFFTI-UHFFFAOYSA-N 1 3 389.281 1.857 20 0 GDADHO C[C@@H](Cn1cc(Br)cn1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414973079 531463882 /nfs/dbraw/zinc/46/38/82/531463882.db2.gz KEEWVVTWDDIMRL-CMPLNLGQSA-N 1 3 384.244 1.460 20 0 GDADHO C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1cc(Br)cn1 ZINC000617502661 531660516 /nfs/dbraw/zinc/66/05/16/531660516.db2.gz XYHHTBFMCLWEGI-UONOGXRCSA-N 1 3 388.354 1.985 20 0 GDADHO C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1cc(Br)cn1 ZINC000617502661 531660525 /nfs/dbraw/zinc/66/05/25/531660525.db2.gz XYHHTBFMCLWEGI-UONOGXRCSA-N 1 3 388.354 1.985 20 0 GDADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638621666 531661514 /nfs/dbraw/zinc/66/15/14/531661514.db2.gz XDOPRLZWLYRLEV-OAHLLOKOSA-N 1 3 382.306 1.818 20 0 GDADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638621666 531661525 /nfs/dbraw/zinc/66/15/25/531661525.db2.gz XDOPRLZWLYRLEV-OAHLLOKOSA-N 1 3 382.306 1.818 20 0 GDADHO CN(CCCN(C)Cc1cnn2cc(Br)cnc12)CC[NH+](C)C ZINC000639185470 531685170 /nfs/dbraw/zinc/68/51/70/531685170.db2.gz BEITWQNWZRJYCB-UHFFFAOYSA-N 1 3 383.338 1.807 20 0 GDADHO CC(C)(O)CN1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000647909091 531902756 /nfs/dbraw/zinc/90/27/56/531902756.db2.gz LWVWRYJSQYVGKE-UHFFFAOYSA-N 1 3 389.949 1.443 20 0 GDADHO NS(=O)(=O)c1cc(CNCCCC[N@@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000631068087 531996562 /nfs/dbraw/zinc/99/65/62/531996562.db2.gz MHKVBIQGQHQEBC-CQSZACIVSA-N 1 3 375.922 1.314 20 0 GDADHO NS(=O)(=O)c1cc(CNCCCC[N@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000631068087 531996569 /nfs/dbraw/zinc/99/65/69/531996569.db2.gz MHKVBIQGQHQEBC-CQSZACIVSA-N 1 3 375.922 1.314 20 0 GDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638549038 653539506 /nfs/dbraw/zinc/53/95/06/653539506.db2.gz DFCSJBGTHUBFNY-AWEZNQCLSA-N 1 3 395.349 1.855 20 0 GDADHO [NH3+]CC1(O)CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923382695 656548003 /nfs/dbraw/zinc/54/80/03/656548003.db2.gz SXNZHFNNAFWIKU-ZDUSSCGKSA-N 1 3 377.254 1.114 20 0 GDADHO C[NH+](C)CC1(O)CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000931488103 657103124 /nfs/dbraw/zinc/10/31/24/657103124.db2.gz OMBLBVWZVZNXDU-OAHLLOKOSA-N 1 3 387.318 1.577 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882768180 657223450 /nfs/dbraw/zinc/22/34/50/657223450.db2.gz TZIOUUJYZQNECZ-LBPRGKRZSA-N 1 3 386.436 1.761 20 0 GDADHO Cn1ccc2c1ncnc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886698 721390345 /nfs/dbraw/zinc/39/03/45/721390345.db2.gz FMXUZFIABQLNPG-LAUBAEHRSA-N 1 3 384.528 1.734 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918532 948849471 /nfs/dbraw/zinc/84/94/71/948849471.db2.gz MTQSNQNVGVARLD-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918532 948849489 /nfs/dbraw/zinc/84/94/89/948849489.db2.gz MTQSNQNVGVARLD-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918532 948849503 /nfs/dbraw/zinc/84/95/03/948849503.db2.gz MTQSNQNVGVARLD-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918532 948849517 /nfs/dbraw/zinc/84/95/17/948849517.db2.gz MTQSNQNVGVARLD-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574703555 949336781 /nfs/dbraw/zinc/33/67/81/949336781.db2.gz WHHFCQBRFKFINW-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574703555 949336808 /nfs/dbraw/zinc/33/68/08/949336808.db2.gz WHHFCQBRFKFINW-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715737 949663536 /nfs/dbraw/zinc/66/35/36/949663536.db2.gz FZMQJQWXUNHTKD-WBVHZDCISA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715737 949663548 /nfs/dbraw/zinc/66/35/48/949663548.db2.gz FZMQJQWXUNHTKD-WBVHZDCISA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715737 949663564 /nfs/dbraw/zinc/66/35/64/949663564.db2.gz FZMQJQWXUNHTKD-WBVHZDCISA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715737 949663574 /nfs/dbraw/zinc/66/35/74/949663574.db2.gz FZMQJQWXUNHTKD-WBVHZDCISA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576171204 949752652 /nfs/dbraw/zinc/75/26/52/949752652.db2.gz PKRDFWRCMXFAJF-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CC[NH+](C)C ZINC001575907547 950332488 /nfs/dbraw/zinc/33/24/88/950332488.db2.gz OYROBHZLFQIPES-WBMJQRKESA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204726 950471407 /nfs/dbraw/zinc/47/14/07/950471407.db2.gz BBJWQCPMSWFCHR-ZIAGYGMSSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204726 950471422 /nfs/dbraw/zinc/47/14/22/950471422.db2.gz BBJWQCPMSWFCHR-ZIAGYGMSSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079911 951699758 /nfs/dbraw/zinc/69/97/58/951699758.db2.gz STYUODKUDNBUCR-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079911 951699762 /nfs/dbraw/zinc/69/97/62/951699762.db2.gz STYUODKUDNBUCR-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079911 951699764 /nfs/dbraw/zinc/69/97/64/951699764.db2.gz STYUODKUDNBUCR-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079911 951699766 /nfs/dbraw/zinc/69/97/66/951699766.db2.gz STYUODKUDNBUCR-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089827 951754596 /nfs/dbraw/zinc/75/45/96/951754596.db2.gz IQZJBKJUYUNMPQ-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089827 951754604 /nfs/dbraw/zinc/75/46/04/951754604.db2.gz IQZJBKJUYUNMPQ-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089827 951754614 /nfs/dbraw/zinc/75/46/14/951754614.db2.gz IQZJBKJUYUNMPQ-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089827 951754622 /nfs/dbraw/zinc/75/46/22/951754622.db2.gz IQZJBKJUYUNMPQ-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101285 951855482 /nfs/dbraw/zinc/85/54/82/951855482.db2.gz BKDMGLMNDUTBQS-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101285 951855488 /nfs/dbraw/zinc/85/54/88/951855488.db2.gz BKDMGLMNDUTBQS-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101285 951855495 /nfs/dbraw/zinc/85/54/95/951855495.db2.gz BKDMGLMNDUTBQS-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101285 951855500 /nfs/dbraw/zinc/85/55/00/951855500.db2.gz BKDMGLMNDUTBQS-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113628 951943183 /nfs/dbraw/zinc/94/31/83/951943183.db2.gz CIJGTKVAUSKHAE-WBVHZDCISA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113628 951943188 /nfs/dbraw/zinc/94/31/88/951943188.db2.gz CIJGTKVAUSKHAE-WBVHZDCISA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113628 951943192 /nfs/dbraw/zinc/94/31/92/951943192.db2.gz CIJGTKVAUSKHAE-WBVHZDCISA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113628 951943198 /nfs/dbraw/zinc/94/31/98/951943198.db2.gz CIJGTKVAUSKHAE-WBVHZDCISA-N 1 3 385.516 1.583 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234680 953204919 /nfs/dbraw/zinc/20/49/19/953204919.db2.gz FTVZRIDXHQENAK-IAGOWNOFSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234680 953204923 /nfs/dbraw/zinc/20/49/23/953204923.db2.gz FTVZRIDXHQENAK-IAGOWNOFSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234680 953204926 /nfs/dbraw/zinc/20/49/26/953204926.db2.gz FTVZRIDXHQENAK-IAGOWNOFSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234680 953204930 /nfs/dbraw/zinc/20/49/30/953204930.db2.gz FTVZRIDXHQENAK-IAGOWNOFSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571234773 953205561 /nfs/dbraw/zinc/20/55/61/953205561.db2.gz IMUSBQIQAQGQID-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571234773 953205562 /nfs/dbraw/zinc/20/55/62/953205562.db2.gz IMUSBQIQAQGQID-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571234773 953205565 /nfs/dbraw/zinc/20/55/65/953205565.db2.gz IMUSBQIQAQGQID-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571234773 953205570 /nfs/dbraw/zinc/20/55/70/953205570.db2.gz IMUSBQIQAQGQID-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571235193 953209755 /nfs/dbraw/zinc/20/97/55/953209755.db2.gz WMRSRPQQSYNFQN-MRXNPFEDSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571235193 953209758 /nfs/dbraw/zinc/20/97/58/953209758.db2.gz WMRSRPQQSYNFQN-MRXNPFEDSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571235193 953209760 /nfs/dbraw/zinc/20/97/60/953209760.db2.gz WMRSRPQQSYNFQN-MRXNPFEDSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571235193 953209762 /nfs/dbraw/zinc/20/97/62/953209762.db2.gz WMRSRPQQSYNFQN-MRXNPFEDSA-N 1 3 383.500 1.289 20 0 GDADHO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457467 531228745 /nfs/dbraw/zinc/22/87/45/531228745.db2.gz OHOIKBCAFYYVPT-STQMWFEESA-N 1 3 388.452 1.864 20 0 GDADHO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457467 531228753 /nfs/dbraw/zinc/22/87/53/531228753.db2.gz OHOIKBCAFYYVPT-STQMWFEESA-N 1 3 388.452 1.864 20 0 GDADHO C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273302957 532143138 /nfs/dbraw/zinc/14/31/38/532143138.db2.gz UYZOADZQZUNDDJ-KAEOHJDDSA-N 1 3 389.587 1.334 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000738409732 598519554 /nfs/dbraw/zinc/51/95/54/598519554.db2.gz FIKZABKZXCZXOU-QGZVFWFLSA-N 1 3 393.499 1.491 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000738409732 598519555 /nfs/dbraw/zinc/51/95/55/598519555.db2.gz FIKZABKZXCZXOU-QGZVFWFLSA-N 1 3 393.499 1.491 20 0 GDADHO c1nc2ccc(-c3nnn[n-]3)cn2c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000826516562 608254677 /nfs/dbraw/zinc/25/46/77/608254677.db2.gz PMKIJPMFGMMRNS-UHFFFAOYSA-N 1 3 389.467 1.916 20 0 GDADHO c1nc2ccc(-c3nn[n-]n3)cn2c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000826516562 608254679 /nfs/dbraw/zinc/25/46/79/608254679.db2.gz PMKIJPMFGMMRNS-UHFFFAOYSA-N 1 3 389.467 1.916 20 0 GDADHO COC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)s1 ZINC000547715363 650513507 /nfs/dbraw/zinc/51/35/07/650513507.db2.gz IVPQRIPBYGLIMY-UHFFFAOYSA-N 1 3 389.543 1.181 20 0 GDADHO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423101463 646114271 /nfs/dbraw/zinc/11/42/71/646114271.db2.gz CYJWODMBFOPONC-OCCSQVGLSA-N 1 3 390.347 1.753 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(F)cncc1Br ZINC000633613777 653458329 /nfs/dbraw/zinc/45/83/29/653458329.db2.gz GCVZSLZTYJGCAV-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(F)cncc1Br ZINC000633613777 653458331 /nfs/dbraw/zinc/45/83/31/653458331.db2.gz GCVZSLZTYJGCAV-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662494068 654297138 /nfs/dbraw/zinc/29/71/38/654297138.db2.gz VQXRIECLHLZYGQ-PBHICJAKSA-N 1 3 397.361 1.839 20 0 GDADHO N[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000870945685 656258347 /nfs/dbraw/zinc/25/83/47/656258347.db2.gz MIYRHQDJOPMGEU-OFLPRAFFSA-N 1 3 395.345 1.782 20 0 GDADHO N[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000870945685 656258353 /nfs/dbraw/zinc/25/83/53/656258353.db2.gz MIYRHQDJOPMGEU-OFLPRAFFSA-N 1 3 395.345 1.782 20 0 GDADHO C[C@](O)(C[NH+]1CCC(O)(CN2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000930168333 657005228 /nfs/dbraw/zinc/00/52/28/657005228.db2.gz NUUTZMBVXQADPA-LBPRGKRZSA-N 1 3 376.366 1.094 20 0 GDADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cc(CN(C)C)ccn1)C2 ZINC001164431731 718970462 /nfs/dbraw/zinc/97/04/62/718970462.db2.gz ASZMOTFRORCPBO-SJORKVTESA-N 1 3 386.418 1.665 20 0 GDADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc3c(n2)CCNC3)CC1 ZINC001164823945 720301806 /nfs/dbraw/zinc/30/18/06/720301806.db2.gz QUCHCAPYUMEXAK-RTBURBONSA-N 1 3 384.528 1.034 20 0 GDADHO C[N@H+](Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745850 720776209 /nfs/dbraw/zinc/77/62/09/720776209.db2.gz WARLYKWSZOXCKI-MOPGFXCFSA-N 1 3 380.496 1.808 20 0 GDADHO C[N@@H+](Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164745850 720776220 /nfs/dbraw/zinc/77/62/20/720776220.db2.gz WARLYKWSZOXCKI-MOPGFXCFSA-N 1 3 380.496 1.808 20 0 GDADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164896941 721519758 /nfs/dbraw/zinc/51/97/58/721519758.db2.gz CSCJVBQKYHKKRU-PKOBYXMFSA-N 1 3 398.486 1.367 20 0 GDADHO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294129 946125280 /nfs/dbraw/zinc/12/52/80/946125280.db2.gz BGNGLWLAVNBMSQ-ZFWWWQNUSA-N 1 3 389.529 1.351 20 0 GDADHO C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294129 946125283 /nfs/dbraw/zinc/12/52/83/946125283.db2.gz BGNGLWLAVNBMSQ-ZFWWWQNUSA-N 1 3 389.529 1.351 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576171815 949782224 /nfs/dbraw/zinc/78/22/24/949782224.db2.gz SVCPZTGQVOKRHP-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576171815 949782235 /nfs/dbraw/zinc/78/22/35/949782235.db2.gz SVCPZTGQVOKRHP-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907758 950341592 /nfs/dbraw/zinc/34/15/92/950341592.db2.gz QHBDEAZHLNXQMS-WMLDXEAASA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907758 950341612 /nfs/dbraw/zinc/34/16/12/950341612.db2.gz QHBDEAZHLNXQMS-WMLDXEAASA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576228696 950955691 /nfs/dbraw/zinc/95/56/91/950955691.db2.gz IKIZFINDVYSWNF-YOEHRIQHSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576228696 950955716 /nfs/dbraw/zinc/95/57/16/950955716.db2.gz IKIZFINDVYSWNF-YOEHRIQHSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089825 951755195 /nfs/dbraw/zinc/75/51/95/951755195.db2.gz IQZJBKJUYUNMPQ-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089825 951755200 /nfs/dbraw/zinc/75/52/00/951755200.db2.gz IQZJBKJUYUNMPQ-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089825 951755208 /nfs/dbraw/zinc/75/52/08/951755208.db2.gz IQZJBKJUYUNMPQ-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089825 951755217 /nfs/dbraw/zinc/75/52/17/951755217.db2.gz IQZJBKJUYUNMPQ-MAUKXSAKSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575101725 951863819 /nfs/dbraw/zinc/86/38/19/951863819.db2.gz IVYSFRVFWHYSLL-ZDUSSCGKSA-N 1 3 387.463 1.038 20 0 GDADHO COc1nc(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)ncc1Br ZINC000414738830 531463245 /nfs/dbraw/zinc/46/32/45/531463245.db2.gz FLTZZKASUVIPRY-OLZOCXBDSA-N 1 3 384.322 1.758 20 0 GDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000567987024 531906519 /nfs/dbraw/zinc/90/65/19/531906519.db2.gz MVVFLKBGARESJP-UHFFFAOYSA-N 1 3 388.965 1.445 20 0 GDADHO [NH3+]CC1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000430629897 532252646 /nfs/dbraw/zinc/25/26/46/532252646.db2.gz QUIBWNYPCAWFDZ-UHFFFAOYSA-N 1 3 386.327 1.708 20 0 GDADHO C[NH+]1CCC(C[NH2+]Cc2cc(-c3nnn[n-]3)cs2)(N2CCCCC2)CC1 ZINC000821622174 606223380 /nfs/dbraw/zinc/22/33/80/606223380.db2.gz VANDGMMUDHFVPR-UHFFFAOYSA-N 1 3 375.546 1.968 20 0 GDADHO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000824546257 609167435 /nfs/dbraw/zinc/16/74/35/609167435.db2.gz HZXNCHDKMHCPTL-KBXCAEBGSA-N 1 3 383.500 1.682 20 0 GDADHO C[C@@H](NC[C@@H](O)C(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000484478016 647918412 /nfs/dbraw/zinc/91/84/12/647918412.db2.gz RJRLYSKQFWGDAF-IUODEOHRSA-N 1 3 379.473 1.193 20 0 GDADHO C[N@H+](C[C@@H](O)CNC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301722 651987458 /nfs/dbraw/zinc/98/74/58/651987458.db2.gz RPWLEXJVYHLSSZ-WBMJQRKESA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@@H](O)CNC[C@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301722 651987461 /nfs/dbraw/zinc/98/74/61/651987461.db2.gz RPWLEXJVYHLSSZ-WBMJQRKESA-N 1 3 389.309 1.784 20 0 GDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000662458395 654294267 /nfs/dbraw/zinc/29/42/67/654294267.db2.gz UWDYCNBROQBZJQ-SUMWQHHRSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000662458395 654294271 /nfs/dbraw/zinc/29/42/71/654294271.db2.gz UWDYCNBROQBZJQ-SUMWQHHRSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000662458395 654294275 /nfs/dbraw/zinc/29/42/75/654294275.db2.gz UWDYCNBROQBZJQ-SUMWQHHRSA-N 1 3 395.345 1.734 20 0 GDADHO CC(C)[C@@H](CNC(=O)[C@H](N)c1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000662479407 654295914 /nfs/dbraw/zinc/29/59/14/654295914.db2.gz HWFNXUFDAZWCMB-IAGOWNOFSA-N 1 3 397.361 1.837 20 0 GDADHO Ic1cnnn1C1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000852760046 655622152 /nfs/dbraw/zinc/62/21/52/655622152.db2.gz UQXIMTQLWRTJMA-LBPRGKRZSA-N 1 3 389.285 1.909 20 0 GDADHO CCn1c(Br)ncc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000900446066 659108359 /nfs/dbraw/zinc/10/83/59/659108359.db2.gz MMFMJNQUNLMYBO-UHFFFAOYSA-N 1 3 398.349 1.954 20 0 GDADHO COc1nc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ncc1Br ZINC000903903325 659388694 /nfs/dbraw/zinc/38/86/94/659388694.db2.gz IBPYIAWPAYXTML-AGUYFDCRSA-N 1 3 396.333 1.900 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)CC[NH+](C)C ZINC001574520912 950756488 /nfs/dbraw/zinc/75/64/88/950756488.db2.gz BBYACONFKQFYES-CHWSQXEVSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574521736 950784001 /nfs/dbraw/zinc/78/40/01/950784001.db2.gz GUGBDOVOLRHAPF-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574521736 950784016 /nfs/dbraw/zinc/78/40/16/950784016.db2.gz GUGBDOVOLRHAPF-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082386 951734498 /nfs/dbraw/zinc/73/44/98/951734498.db2.gz YAZZSKORZPTKOQ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082386 951734506 /nfs/dbraw/zinc/73/45/06/951734506.db2.gz YAZZSKORZPTKOQ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082386 951734513 /nfs/dbraw/zinc/73/45/13/951734513.db2.gz YAZZSKORZPTKOQ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082386 951734522 /nfs/dbraw/zinc/73/45/22/951734522.db2.gz YAZZSKORZPTKOQ-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000130278001 531059481 /nfs/dbraw/zinc/05/94/81/531059481.db2.gz AQQHHZCRZZFBJE-HNNXBMFYSA-N 1 3 384.318 1.877 20 0 GDADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3cc(Br)cn3)CC2)CC1 ZINC000622792570 531783107 /nfs/dbraw/zinc/78/31/07/531783107.db2.gz XFKITQZOEJSJHW-UHFFFAOYSA-N 1 3 398.349 1.711 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736225336 598523019 /nfs/dbraw/zinc/52/30/19/598523019.db2.gz BNMXSDGCOQRQJO-XHSDSOJGSA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736225336 598523020 /nfs/dbraw/zinc/52/30/20/598523020.db2.gz BNMXSDGCOQRQJO-XHSDSOJGSA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736225336 598523021 /nfs/dbraw/zinc/52/30/21/598523021.db2.gz BNMXSDGCOQRQJO-XHSDSOJGSA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736225336 598523022 /nfs/dbraw/zinc/52/30/22/598523022.db2.gz BNMXSDGCOQRQJO-XHSDSOJGSA-N 1 3 387.536 1.453 20 0 GDADHO CN(C)C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000529389263 649943007 /nfs/dbraw/zinc/94/30/07/649943007.db2.gz VHMSSOXWLZHWQP-CJNGLKHVSA-N 1 3 388.343 1.880 20 0 GDADHO C[NH+]1CCC(CNCc2ccncc2Br)(N2CCOCC2)CC1 ZINC000631160413 653230696 /nfs/dbraw/zinc/23/06/96/653230696.db2.gz DWTZGDXETBVXDD-UHFFFAOYSA-N 1 3 383.334 1.730 20 0 GDADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638363094 653538854 /nfs/dbraw/zinc/53/88/54/653538854.db2.gz HWWPWNPANPNJNA-CYBMUJFWSA-N 1 3 381.322 1.607 20 0 GDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1ccccc1Br ZINC000849096170 655517311 /nfs/dbraw/zinc/51/73/11/655517311.db2.gz GQPSILICXQYIPL-KBPBESRZSA-N 1 3 399.333 1.787 20 0 GDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000923321136 656544367 /nfs/dbraw/zinc/54/43/67/656544367.db2.gz KYOVLRWQZHJHTH-IHRRRGAJSA-N 1 3 383.290 1.345 20 0 GDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221147 657336213 /nfs/dbraw/zinc/33/62/13/657336213.db2.gz KTZFIDQTAPPAON-RDJZCZTQSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221147 657336224 /nfs/dbraw/zinc/33/62/24/657336224.db2.gz KTZFIDQTAPPAON-RDJZCZTQSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221147 657336232 /nfs/dbraw/zinc/33/62/32/657336232.db2.gz KTZFIDQTAPPAON-RDJZCZTQSA-N 1 3 395.345 1.734 20 0 GDADHO c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735906 720445988 /nfs/dbraw/zinc/44/59/88/720445988.db2.gz ZFYAFMBUDGMPLI-RTBURBONSA-N 1 3 380.496 1.856 20 0 GDADHO c1cncc(CN2CCO[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@@H]3C2)c1 ZINC001164981687 722100149 /nfs/dbraw/zinc/10/01/49/722100149.db2.gz LYMQUCKRPRNGGU-WIYYLYMNSA-N 1 3 394.523 1.287 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964592 949781017 /nfs/dbraw/zinc/78/10/17/949781017.db2.gz YPVGAATWWSBFHL-IHRRRGAJSA-N 1 3 389.479 1.330 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964592 949781036 /nfs/dbraw/zinc/78/10/36/949781036.db2.gz YPVGAATWWSBFHL-IHRRRGAJSA-N 1 3 389.479 1.330 20 0 GDADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204797 950476084 /nfs/dbraw/zinc/47/60/84/950476084.db2.gz CORCUCHFHIJKDE-KBPBESRZSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001576204797 950476099 /nfs/dbraw/zinc/47/60/99/950476099.db2.gz CORCUCHFHIJKDE-KBPBESRZSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576205755 950540410 /nfs/dbraw/zinc/54/04/10/950540410.db2.gz OKXRWLWRCDDALR-CQSZACIVSA-N 1 3 391.545 1.645 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)CC[NH+](C)C ZINC001574520914 950755784 /nfs/dbraw/zinc/75/57/84/950755784.db2.gz BBYACONFKQFYES-QWHCGFSZSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091001 951766905 /nfs/dbraw/zinc/76/69/05/951766905.db2.gz OSVXFZDDYORFPV-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106650 951907802 /nfs/dbraw/zinc/90/78/02/951907802.db2.gz TZQKPXAJWVSVLU-HNNXBMFYSA-N 1 3 383.500 1.337 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571235069 953208830 /nfs/dbraw/zinc/20/88/30/953208830.db2.gz RSCRNXPYFYGLSR-IRXDYDNUSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571235069 953208832 /nfs/dbraw/zinc/20/88/32/953208832.db2.gz RSCRNXPYFYGLSR-IRXDYDNUSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571235069 953208834 /nfs/dbraw/zinc/20/88/34/953208834.db2.gz RSCRNXPYFYGLSR-IRXDYDNUSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571235069 953208836 /nfs/dbraw/zinc/20/88/36/953208836.db2.gz RSCRNXPYFYGLSR-IRXDYDNUSA-N 1 3 383.500 1.289 20 0 GDADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000659757519 531561562 /nfs/dbraw/zinc/56/15/62/531561562.db2.gz ZEPUMMTXEMIEFF-ZDUSSCGKSA-N 1 3 399.333 1.063 20 0 GDADHO C[C@H](C[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045298 650304176 /nfs/dbraw/zinc/30/41/76/650304176.db2.gz LOEPPWGATJBDMS-ZACQAIPSSA-N 1 3 376.563 1.257 20 0 GDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3n[nH]cc3Br)CC2)CC1 ZINC000580783577 651939329 /nfs/dbraw/zinc/93/93/29/651939329.db2.gz KMHZADVANVKMFM-UHFFFAOYSA-N 1 3 384.322 2.307 20 0 GDADHO C[NH2+]CCOCCN(C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000629653144 653180641 /nfs/dbraw/zinc/18/06/41/653180641.db2.gz FZNFDVCYNLVKFQ-UHFFFAOYSA-N 1 3 386.334 1.954 20 0 GDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000662458393 654294023 /nfs/dbraw/zinc/29/40/23/654294023.db2.gz UWDYCNBROQBZJQ-DYVFJYSZSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000662458393 654294039 /nfs/dbraw/zinc/29/40/39/654294039.db2.gz UWDYCNBROQBZJQ-DYVFJYSZSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000662458393 654294051 /nfs/dbraw/zinc/29/40/51/654294051.db2.gz UWDYCNBROQBZJQ-DYVFJYSZSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000662458392 654294278 /nfs/dbraw/zinc/29/42/78/654294278.db2.gz UWDYCNBROQBZJQ-CXAGYDPISA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000662458392 654294281 /nfs/dbraw/zinc/29/42/81/654294281.db2.gz UWDYCNBROQBZJQ-CXAGYDPISA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](N)c3ccccc3Br)C2)CC1 ZINC000662458392 654294284 /nfs/dbraw/zinc/29/42/84/654294284.db2.gz UWDYCNBROQBZJQ-CXAGYDPISA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CCC(Nc3ccc4nnc(Br)n4n3)CC2)CC1 ZINC000881871104 656977689 /nfs/dbraw/zinc/97/76/89/656977689.db2.gz DZNVOASNHSOURT-UHFFFAOYSA-N 1 3 394.321 1.857 20 0 GDADHO CC[NH+]1CCN(CCCNC(=O)[C@H](N)c2ccc(Br)cc2)CC1 ZINC000884234151 657338340 /nfs/dbraw/zinc/33/83/40/657338340.db2.gz JOQZAAZBNKUEJL-MRXNPFEDSA-N 1 3 383.334 1.593 20 0 GDADHO C[C@@H](CNC(=O)[C@@H](N)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000884234641 657338405 /nfs/dbraw/zinc/33/84/05/657338405.db2.gz AEPVUMGCSPBGFS-BBRMVZONSA-N 1 3 383.334 1.449 20 0 GDADHO C[NH+](C)Cc1ccc(CNCC(C)(C)S(C)(=O)=O)c2c1OC(F)(F)O2 ZINC000894318132 658538308 /nfs/dbraw/zinc/53/83/08/658538308.db2.gz ZFTFYYKGLVNTJZ-UHFFFAOYSA-N 1 3 378.441 1.983 20 0 GDADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@@H]2C1 ZINC001164854275 720836596 /nfs/dbraw/zinc/83/65/96/720836596.db2.gz QYMFQYRHEQLZGB-QZTJIDSGSA-N 1 3 375.517 1.559 20 0 GDADHO COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@@H]2C1 ZINC001164854275 720836597 /nfs/dbraw/zinc/83/65/97/720836597.db2.gz QYMFQYRHEQLZGB-QZTJIDSGSA-N 1 3 375.517 1.559 20 0 GDADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164762032 721176260 /nfs/dbraw/zinc/17/62/60/721176260.db2.gz BYPOZQGYKLOPGM-RBUKOAKNSA-N 1 3 381.528 1.183 20 0 GDADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164770780 721205052 /nfs/dbraw/zinc/20/50/52/721205052.db2.gz OJNIKANRXBYKGL-ROUUACIJSA-N 1 3 397.527 1.299 20 0 GDADHO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894071 721389123 /nfs/dbraw/zinc/38/91/23/721389123.db2.gz XEALEZJJZGANTF-KNQAVFIVSA-N 1 3 385.556 1.493 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918633 948854275 /nfs/dbraw/zinc/85/42/75/948854275.db2.gz PFCWKAAWGSYIAE-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918633 948854290 /nfs/dbraw/zinc/85/42/90/948854290.db2.gz PFCWKAAWGSYIAE-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573765938 948930747 /nfs/dbraw/zinc/93/07/47/948930747.db2.gz QVYGBFHPQLTMKP-INIZCTEOSA-N 1 3 383.500 1.432 20 0 GDADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1)[NH+]1CCCC1 ZINC001573787114 949164561 /nfs/dbraw/zinc/16/45/61/949164561.db2.gz LUKHLUVYRKGLSP-QAQDUYKDSA-N 1 3 383.500 1.478 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576169223 949670507 /nfs/dbraw/zinc/67/05/07/949670507.db2.gz FVDCHOHFLUHDLY-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576169223 949670525 /nfs/dbraw/zinc/67/05/25/949670525.db2.gz FVDCHOHFLUHDLY-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718462 949779644 /nfs/dbraw/zinc/77/96/44/949779644.db2.gz XOQONDQFMYWCGG-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718462 949779669 /nfs/dbraw/zinc/77/96/69/949779669.db2.gz XOQONDQFMYWCGG-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574151220 950064029 /nfs/dbraw/zinc/06/40/29/950064029.db2.gz NUAZVKIMKXNVBB-MSOLQXFVSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151220 950064050 /nfs/dbraw/zinc/06/40/50/950064050.db2.gz NUAZVKIMKXNVBB-MSOLQXFVSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574151220 950064073 /nfs/dbraw/zinc/06/40/73/950064073.db2.gz NUAZVKIMKXNVBB-MSOLQXFVSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151220 950064094 /nfs/dbraw/zinc/06/40/94/950064094.db2.gz NUAZVKIMKXNVBB-MSOLQXFVSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576230158 950993204 /nfs/dbraw/zinc/99/32/04/950993204.db2.gz LHHCRAOVYOQQDX-GXTWGEPZSA-N 1 3 389.529 1.349 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079368 951690013 /nfs/dbraw/zinc/69/00/13/951690013.db2.gz DCDBDUXNAXMSBZ-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079368 951690018 /nfs/dbraw/zinc/69/00/18/951690018.db2.gz DCDBDUXNAXMSBZ-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079368 951690021 /nfs/dbraw/zinc/69/00/21/951690021.db2.gz DCDBDUXNAXMSBZ-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079368 951690025 /nfs/dbraw/zinc/69/00/25/951690025.db2.gz DCDBDUXNAXMSBZ-ZFWWWQNUSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575088979 951743920 /nfs/dbraw/zinc/74/39/20/951743920.db2.gz DQCSGUWZXVJQBU-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575090999 951766092 /nfs/dbraw/zinc/76/60/92/951766092.db2.gz OSVXFZDDYORFPV-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101375 951857969 /nfs/dbraw/zinc/85/79/69/951857969.db2.gz CJOQPNOQBRRAPJ-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101375 951857976 /nfs/dbraw/zinc/85/79/76/951857976.db2.gz CJOQPNOQBRRAPJ-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101375 951857979 /nfs/dbraw/zinc/85/79/79/951857979.db2.gz CJOQPNOQBRRAPJ-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101375 951857985 /nfs/dbraw/zinc/85/79/85/951857985.db2.gz CJOQPNOQBRRAPJ-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571234924 953207076 /nfs/dbraw/zinc/20/70/76/953207076.db2.gz NDJQNVZSYSVPAO-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571234924 953207079 /nfs/dbraw/zinc/20/70/79/953207079.db2.gz NDJQNVZSYSVPAO-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000524792445 531280761 /nfs/dbraw/zinc/28/07/61/531280761.db2.gz QTQCNLUUAJTMHN-UHFFFAOYSA-N 1 3 381.468 1.839 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000414125050 531431370 /nfs/dbraw/zinc/43/13/70/531431370.db2.gz PXYMRYMLSZMVRW-ZBFHGGJFSA-N 1 3 386.334 1.682 20 0 GDADHO CCN1CCN(CCC[NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414063373 531430241 /nfs/dbraw/zinc/43/02/41/531430241.db2.gz MJMVUCUGTITPDD-OAHLLOKOSA-N 1 3 385.350 1.617 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Br)cc1 ZINC000550364191 531525191 /nfs/dbraw/zinc/52/51/91/531525191.db2.gz ICUZHKZWCWCNHH-UHFFFAOYSA-N 1 3 399.333 1.017 20 0 GDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108108 532072316 /nfs/dbraw/zinc/07/23/16/532072316.db2.gz SSXDJTGGLASJGY-KCQAQPDRSA-N 1 3 375.922 1.350 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]CCCCCCC[NH+]1CCCC1)C2 ZINC000738448721 598531463 /nfs/dbraw/zinc/53/14/63/598531463.db2.gz ARDXCRQJRGBTQD-MRXNPFEDSA-N 1 3 387.536 1.741 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]CCCCCCC[NH+]1CCCC1)C2 ZINC000738448721 598531465 /nfs/dbraw/zinc/53/14/65/598531465.db2.gz ARDXCRQJRGBTQD-MRXNPFEDSA-N 1 3 387.536 1.741 20 0 GDADHO CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736531181 599608949 /nfs/dbraw/zinc/60/89/49/599608949.db2.gz SFEFEJKDCMUKAH-UHFFFAOYSA-N 1 3 399.543 1.927 20 0 GDADHO CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736531181 599608951 /nfs/dbraw/zinc/60/89/51/599608951.db2.gz SFEFEJKDCMUKAH-UHFFFAOYSA-N 1 3 399.543 1.927 20 0 GDADHO O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)[C@H]1CC[NH2+]1 ZINC000444267460 647247645 /nfs/dbraw/zinc/24/76/45/647247645.db2.gz GSMBIWYJOMCKHK-MRXNPFEDSA-N 1 3 382.302 1.770 20 0 GDADHO CC[C@@H](NCCOCC[NH+](C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481998321 647890435 /nfs/dbraw/zinc/89/04/35/647890435.db2.gz KIBAVPCCSHXWBL-OAHLLOKOSA-N 1 3 377.938 1.867 20 0 GDADHO O=S(=O)([N-]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1F ZINC000647796525 653634701 /nfs/dbraw/zinc/63/47/01/653634701.db2.gz COFKYZDCXNPRGZ-OUCADQQQSA-N 1 3 375.897 1.735 20 0 GDADHO CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959518 655362933 /nfs/dbraw/zinc/36/29/33/655362933.db2.gz SIYIDGGGVMHWDL-DZGCQCFKSA-N 1 3 391.559 1.436 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nccn2c(Br)cnc12 ZINC000855346160 655692431 /nfs/dbraw/zinc/69/24/31/655692431.db2.gz PPMIBPKCFMYTGV-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nccn2c(Br)cnc12 ZINC000855346160 655692433 /nfs/dbraw/zinc/69/24/33/655692433.db2.gz PPMIBPKCFMYTGV-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(F)c(Br)c1 ZINC000855346879 655692488 /nfs/dbraw/zinc/69/24/88/655692488.db2.gz MYGSNWBVICDJQY-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(F)c(Br)c1 ZINC000855346879 655692490 /nfs/dbraw/zinc/69/24/90/655692490.db2.gz MYGSNWBVICDJQY-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO Cn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Br)n1 ZINC000880055871 656859972 /nfs/dbraw/zinc/85/99/72/656859972.db2.gz HQPNVDJHTOEVIM-UHFFFAOYSA-N 1 3 399.337 1.863 20 0 GDADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906465387 659544907 /nfs/dbraw/zinc/54/49/07/659544907.db2.gz JGIQTJMCDMMTNL-ZDUSSCGKSA-N 1 3 386.751 1.782 20 0 GDADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc3c(nn2)CCNC3)CC1 ZINC001164834346 720328269 /nfs/dbraw/zinc/32/82/69/720328269.db2.gz ZMSQGRVQOUPCFZ-RTBURBONSA-N 1 3 384.528 1.034 20 0 GDADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4c(nn3)CCNC4)CC[C@@H]21 ZINC001164835849 720571374 /nfs/dbraw/zinc/57/13/74/720571374.db2.gz INGDKKJIPPNXTN-HBFSDRIKSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4c(nn3)CCNC4)CC[C@@H]21 ZINC001164835849 720571375 /nfs/dbraw/zinc/57/13/75/720571375.db2.gz INGDKKJIPPNXTN-HBFSDRIKSA-N 1 3 381.528 1.697 20 0 GDADHO Cn1cc(CN2CC[C@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@H]3C2)cn1 ZINC001164773401 721168528 /nfs/dbraw/zinc/16/85/28/721168528.db2.gz WYVXOMORPNJNEQ-ZWKOTPCHSA-N 1 3 396.543 1.096 20 0 GDADHO Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164866463 721196832 /nfs/dbraw/zinc/19/68/32/721196832.db2.gz AYFMZTWXZCYFBA-OALUTQOASA-N 1 3 380.496 1.347 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270762 949602431 /nfs/dbraw/zinc/60/24/31/949602431.db2.gz GBXGTQPYHLBCAW-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270762 949602437 /nfs/dbraw/zinc/60/24/37/949602437.db2.gz GBXGTQPYHLBCAW-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270762 949602444 /nfs/dbraw/zinc/60/24/44/949602444.db2.gz GBXGTQPYHLBCAW-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270762 949602452 /nfs/dbraw/zinc/60/24/52/949602452.db2.gz GBXGTQPYHLBCAW-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270761 949602737 /nfs/dbraw/zinc/60/27/37/949602737.db2.gz GBXGTQPYHLBCAW-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575270761 949602744 /nfs/dbraw/zinc/60/27/44/949602744.db2.gz GBXGTQPYHLBCAW-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270761 949602749 /nfs/dbraw/zinc/60/27/49/949602749.db2.gz GBXGTQPYHLBCAW-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575270761 949602755 /nfs/dbraw/zinc/60/27/55/949602755.db2.gz GBXGTQPYHLBCAW-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715739 949665955 /nfs/dbraw/zinc/66/59/55/949665955.db2.gz GAHBTSZZGBTZBM-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715739 949665967 /nfs/dbraw/zinc/66/59/67/949665967.db2.gz GAHBTSZZGBTZBM-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716856 949713182 /nfs/dbraw/zinc/71/31/82/949713182.db2.gz RLPHURBRZUGJRC-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716856 949713196 /nfs/dbraw/zinc/71/31/96/949713196.db2.gz RLPHURBRZUGJRC-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716856 949713211 /nfs/dbraw/zinc/71/32/11/949713211.db2.gz RLPHURBRZUGJRC-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716856 949713226 /nfs/dbraw/zinc/71/32/26/949713226.db2.gz RLPHURBRZUGJRC-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576180094 949937716 /nfs/dbraw/zinc/93/77/16/949937716.db2.gz BXTQEOPXOJVZEJ-DOTOQJQBSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576180094 949937731 /nfs/dbraw/zinc/93/77/31/949937731.db2.gz BXTQEOPXOJVZEJ-DOTOQJQBSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906342 950311988 /nfs/dbraw/zinc/31/19/88/950311988.db2.gz HPIQUUCUVNBDEQ-YOEHRIQHSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906342 950312004 /nfs/dbraw/zinc/31/20/04/950312004.db2.gz HPIQUUCUVNBDEQ-YOEHRIQHSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574520884 950755447 /nfs/dbraw/zinc/75/54/47/950755447.db2.gz ATHGVEDKUDRQND-CABCVRRESA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574520884 950755457 /nfs/dbraw/zinc/75/54/57/950755457.db2.gz ATHGVEDKUDRQND-CABCVRRESA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575088548 951740054 /nfs/dbraw/zinc/74/00/54/951740054.db2.gz BECSTDKKQCQIEX-CYBMUJFWSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@H](CNC(=O)C[N@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099597 951837338 /nfs/dbraw/zinc/83/73/38/951837338.db2.gz NMURSGYKMXYCES-LBPRGKRZSA-N 1 3 377.518 1.254 20 0 GDADHO C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099597 951837341 /nfs/dbraw/zinc/83/73/41/951837341.db2.gz NMURSGYKMXYCES-LBPRGKRZSA-N 1 3 377.518 1.254 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101280 951855583 /nfs/dbraw/zinc/85/55/83/951855583.db2.gz BKDMGLMNDUTBQS-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101280 951855586 /nfs/dbraw/zinc/85/55/86/951855586.db2.gz BKDMGLMNDUTBQS-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101280 951855593 /nfs/dbraw/zinc/85/55/93/951855593.db2.gz BKDMGLMNDUTBQS-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101280 951855599 /nfs/dbraw/zinc/85/55/99/951855599.db2.gz BKDMGLMNDUTBQS-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575110209 951936637 /nfs/dbraw/zinc/93/66/37/951936637.db2.gz YBYSCHNDTATWOO-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575110209 951936644 /nfs/dbraw/zinc/93/66/44/951936644.db2.gz YBYSCHNDTATWOO-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575110209 951936652 /nfs/dbraw/zinc/93/66/52/951936652.db2.gz YBYSCHNDTATWOO-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575110209 951936659 /nfs/dbraw/zinc/93/66/59/951936659.db2.gz YBYSCHNDTATWOO-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@@H+]1C ZINC001571234625 953203696 /nfs/dbraw/zinc/20/36/96/953203696.db2.gz DJOKUPSKUHBURD-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@H+]1C ZINC001571234625 953203697 /nfs/dbraw/zinc/20/36/97/953203697.db2.gz DJOKUPSKUHBURD-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@@H+]1C ZINC001571234625 953203698 /nfs/dbraw/zinc/20/36/98/953203698.db2.gz DJOKUPSKUHBURD-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@H+]1C ZINC001571234625 953203699 /nfs/dbraw/zinc/20/36/99/953203699.db2.gz DJOKUPSKUHBURD-UWWQBHOKSA-N 1 3 383.500 1.145 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234668 953204229 /nfs/dbraw/zinc/20/42/29/953204229.db2.gz FQUAIDPTJWWGAU-FUHWJXTLSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234668 953204230 /nfs/dbraw/zinc/20/42/30/953204230.db2.gz FQUAIDPTJWWGAU-FUHWJXTLSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234668 953204231 /nfs/dbraw/zinc/20/42/31/953204231.db2.gz FQUAIDPTJWWGAU-FUHWJXTLSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234668 953204232 /nfs/dbraw/zinc/20/42/32/953204232.db2.gz FQUAIDPTJWWGAU-FUHWJXTLSA-N 1 3 383.500 1.147 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(Br)cc1F ZINC000103211766 530833419 /nfs/dbraw/zinc/83/34/19/530833419.db2.gz ZXQPNAVZJFAOJW-UHFFFAOYSA-N 1 3 390.297 1.919 20 0 GDADHO C[NH+](C)CCOCCNCc1ccc(Br)cc1N1CCOCC1 ZINC000473984253 531265002 /nfs/dbraw/zinc/26/50/02/531265002.db2.gz PMVXJCKTLUQVEP-UHFFFAOYSA-N 1 3 386.334 1.954 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000550302509 531526352 /nfs/dbraw/zinc/52/63/52/531526352.db2.gz WKYQYHKDXAKQLV-UHFFFAOYSA-N 1 3 389.327 1.561 20 0 GDADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000583837848 531597333 /nfs/dbraw/zinc/59/73/33/531597333.db2.gz FPULXDKWWFPGIZ-KBPBESRZSA-N 1 3 389.949 1.966 20 0 GDADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000299460251 531992252 /nfs/dbraw/zinc/99/22/52/531992252.db2.gz DBKSGHVTCQFBTK-UHFFFAOYSA-N 1 3 384.322 1.320 20 0 GDADHO C[C@@H](CN)NC(=O)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000420020633 531997175 /nfs/dbraw/zinc/99/71/75/531997175.db2.gz GCGMFSHWDIJCFG-LBPRGKRZSA-N 1 3 389.327 1.737 20 0 GDADHO C[C@H]1CN(CCC2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426830148 532172420 /nfs/dbraw/zinc/17/24/20/532172420.db2.gz VOTUWIOBEKJLLJ-IRXDYDNUSA-N 1 3 375.579 1.479 20 0 GDADHO C[N@H+](C[C@@H](O)CNC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716650 650809808 /nfs/dbraw/zinc/80/98/08/650809808.db2.gz KIMFZIBXJJUBBC-HIFRSBDPSA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@@H](O)CNC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716650 650809810 /nfs/dbraw/zinc/80/98/10/650809810.db2.gz KIMFZIBXJJUBBC-HIFRSBDPSA-N 1 3 389.309 1.784 20 0 GDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638549040 653539589 /nfs/dbraw/zinc/53/95/89/653539589.db2.gz DFCSJBGTHUBFNY-CQSZACIVSA-N 1 3 395.349 1.855 20 0 GDADHO CC(C)[C@@H](CNC(=O)[C@@H](N)c1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000662479411 654296028 /nfs/dbraw/zinc/29/60/28/654296028.db2.gz HWFNXUFDAZWCMB-SJORKVTESA-N 1 3 397.361 1.837 20 0 GDADHO CN(C)CCC[N@H+](C)CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000664248237 654370399 /nfs/dbraw/zinc/37/03/99/654370399.db2.gz QNIHMKWGRGCLOU-UHFFFAOYSA-N 1 3 382.452 1.648 20 0 GDADHO CN(C)CCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000664248237 654370404 /nfs/dbraw/zinc/37/04/04/654370404.db2.gz QNIHMKWGRGCLOU-UHFFFAOYSA-N 1 3 382.452 1.648 20 0 GDADHO CC[NH+]1CCN(CCCNC(=O)[C@H](N)c2cccc(Br)c2)CC1 ZINC000870865887 656250991 /nfs/dbraw/zinc/25/09/91/656250991.db2.gz MRSPUIBVXZHUTH-MRXNPFEDSA-N 1 3 383.334 1.593 20 0 GDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H](N)c2ccc(Br)cc2)CC1 ZINC000884199971 657334378 /nfs/dbraw/zinc/33/43/78/657334378.db2.gz PKDJYTSUXDYNRS-KRWDZBQOSA-N 1 3 397.361 1.839 20 0 GDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H](N)c2ccc(Br)cc2)CC1 ZINC000884199971 657334381 /nfs/dbraw/zinc/33/43/81/657334381.db2.gz PKDJYTSUXDYNRS-KRWDZBQOSA-N 1 3 397.361 1.839 20 0 GDADHO C[C@H](CNC(=O)[C@H](N)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000884234643 657338394 /nfs/dbraw/zinc/33/83/94/657338394.db2.gz AEPVUMGCSPBGFS-CZUORRHYSA-N 1 3 383.334 1.449 20 0 GDADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1sc(N2CCOCC2)nc1Cl ZINC000894260567 658529350 /nfs/dbraw/zinc/52/93/50/658529350.db2.gz MPUQVXQXKXJTTA-CQSZACIVSA-N 1 3 388.965 1.960 20 0 GDADHO OC[C@H]1CCC[N@H+]1CCCCNCc1sc(N2CCOCC2)nc1Cl ZINC000894260567 658529364 /nfs/dbraw/zinc/52/93/64/658529364.db2.gz MPUQVXQXKXJTTA-CQSZACIVSA-N 1 3 388.965 1.960 20 0 GDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905152827 659427261 /nfs/dbraw/zinc/42/72/61/659427261.db2.gz CDJLVEACTAFKOK-BZUAXINKSA-N 1 3 375.579 1.450 20 0 GDADHO [NH3+]C1CCN(c2cccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164745839 720742656 /nfs/dbraw/zinc/74/26/56/720742656.db2.gz WALUQFWEQCFGSR-ROUUACIJSA-N 1 3 395.511 1.141 20 0 GDADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573787550 949182893 /nfs/dbraw/zinc/18/28/93/949182893.db2.gz WDYUQPYQCFYOOR-WKILWMFISA-N 1 3 383.500 1.478 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711143 949525027 /nfs/dbraw/zinc/52/50/27/949525027.db2.gz DQIDBZOLXRUIBF-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711143 949525041 /nfs/dbraw/zinc/52/50/41/949525041.db2.gz DQIDBZOLXRUIBF-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574713506 949603817 /nfs/dbraw/zinc/60/38/17/949603817.db2.gz XTBJPJACHFZOCN-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715738 949665354 /nfs/dbraw/zinc/66/53/54/949665354.db2.gz GAHBTSZZGBTZBM-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715738 949665368 /nfs/dbraw/zinc/66/53/68/949665368.db2.gz GAHBTSZZGBTZBM-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964269 949769863 /nfs/dbraw/zinc/76/98/63/949769863.db2.gz SQTQATROETUVCB-YDHLFZDLSA-N 1 3 389.479 1.330 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574964269 949769885 /nfs/dbraw/zinc/76/98/85/949769885.db2.gz SQTQATROETUVCB-YDHLFZDLSA-N 1 3 389.479 1.330 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574151223 950063415 /nfs/dbraw/zinc/06/34/15/950063415.db2.gz NUAZVKIMKXNVBB-ZWKOTPCHSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151223 950063439 /nfs/dbraw/zinc/06/34/39/950063439.db2.gz NUAZVKIMKXNVBB-ZWKOTPCHSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574151223 950063461 /nfs/dbraw/zinc/06/34/61/950063461.db2.gz NUAZVKIMKXNVBB-ZWKOTPCHSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574151223 950063481 /nfs/dbraw/zinc/06/34/81/950063481.db2.gz NUAZVKIMKXNVBB-ZWKOTPCHSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574151221 950066205 /nfs/dbraw/zinc/06/62/05/950066205.db2.gz NUAZVKIMKXNVBB-QZTJIDSGSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151221 950066230 /nfs/dbraw/zinc/06/62/30/950066230.db2.gz NUAZVKIMKXNVBB-QZTJIDSGSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574151221 950066247 /nfs/dbraw/zinc/06/62/47/950066247.db2.gz NUAZVKIMKXNVBB-QZTJIDSGSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574151221 950066266 /nfs/dbraw/zinc/06/62/66/950066266.db2.gz NUAZVKIMKXNVBB-QZTJIDSGSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+](C)C ZINC001575902412 950256788 /nfs/dbraw/zinc/25/67/88/950256788.db2.gz UOZFIWCIBNJQOY-SUMWQHHRSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+](C)C ZINC001575902412 950256806 /nfs/dbraw/zinc/25/68/06/950256806.db2.gz UOZFIWCIBNJQOY-SUMWQHHRSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575101204 951855876 /nfs/dbraw/zinc/85/58/76/951855876.db2.gz AXIBFTXBQHVVCE-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575101204 951855880 /nfs/dbraw/zinc/85/58/80/951855880.db2.gz AXIBFTXBQHVVCE-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101376 951857304 /nfs/dbraw/zinc/85/73/04/951857304.db2.gz CJOQPNOQBRRAPJ-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101376 951857309 /nfs/dbraw/zinc/85/73/09/951857309.db2.gz CJOQPNOQBRRAPJ-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101376 951857313 /nfs/dbraw/zinc/85/73/13/951857313.db2.gz CJOQPNOQBRRAPJ-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101376 951857318 /nfs/dbraw/zinc/85/73/18/951857318.db2.gz CJOQPNOQBRRAPJ-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571234772 953205421 /nfs/dbraw/zinc/20/54/21/953205421.db2.gz IMUSBQIQAQGQID-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nnn[n-]4)c3)CC2)C1 ZINC001571234772 953205423 /nfs/dbraw/zinc/20/54/23/953205423.db2.gz IMUSBQIQAQGQID-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571234772 953205425 /nfs/dbraw/zinc/20/54/25/953205425.db2.gz IMUSBQIQAQGQID-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccc(-c4nn[n-]n4)c3)CC2)C1 ZINC001571234772 953205427 /nfs/dbraw/zinc/20/54/27/953205427.db2.gz IMUSBQIQAQGQID-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571235145 953209043 /nfs/dbraw/zinc/20/90/43/953209043.db2.gz UZCNTKHZTWAXMB-ZOBUZTSGSA-N 1 3 383.500 1.193 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571235145 953209046 /nfs/dbraw/zinc/20/90/46/953209046.db2.gz UZCNTKHZTWAXMB-ZOBUZTSGSA-N 1 3 383.500 1.193 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571235145 953209051 /nfs/dbraw/zinc/20/90/51/953209051.db2.gz UZCNTKHZTWAXMB-ZOBUZTSGSA-N 1 3 383.500 1.193 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571235145 953209054 /nfs/dbraw/zinc/20/90/54/953209054.db2.gz UZCNTKHZTWAXMB-ZOBUZTSGSA-N 1 3 383.500 1.193 20 0 GDADHO Cc1cc(Br)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130522206 531061453 /nfs/dbraw/zinc/06/14/53/531061453.db2.gz AJNJZBJABUUPEZ-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO CCN1CCN(CCC[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000414063371 531430098 /nfs/dbraw/zinc/43/00/98/531430098.db2.gz MJMVUCUGTITPDD-HNNXBMFYSA-N 1 3 385.350 1.617 20 0 GDADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000659757518 531561055 /nfs/dbraw/zinc/56/10/55/531561055.db2.gz ZEPUMMTXEMIEFF-CYBMUJFWSA-N 1 3 399.333 1.063 20 0 GDADHO C[C@H](NCCCNS(=O)(=O)c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000423105099 532072792 /nfs/dbraw/zinc/07/27/92/532072792.db2.gz NCPVKYBGSXAQJR-QWHCGFSZSA-N 1 3 390.347 1.705 20 0 GDADHO O=c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccc(Br)cn12 ZINC000324189523 532072886 /nfs/dbraw/zinc/07/28/86/532072886.db2.gz QZPLGRHYQQHQEN-BETUJISGSA-N 1 3 377.286 1.888 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)C1 ZINC000635000990 653504033 /nfs/dbraw/zinc/50/40/33/653504033.db2.gz AEVCXCPKVLTYLG-DRCJMICCSA-N 1 3 378.314 1.874 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)C1 ZINC000873223362 656389761 /nfs/dbraw/zinc/38/97/61/656389761.db2.gz NRTOZJVMKJPVTB-FPRZBMBHSA-N 1 3 378.314 1.874 20 0 GDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)Nc3ccccc3Br)CC2)C1 ZINC000923312075 656544053 /nfs/dbraw/zinc/54/40/53/656544053.db2.gz HOGLTBOQNPNJKU-RCBQFDQVSA-N 1 3 382.302 1.950 20 0 GDADHO COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164634333 719138317 /nfs/dbraw/zinc/13/83/17/719138317.db2.gz UPKOPJWYIGFERK-AWEZNQCLSA-N 1 3 386.830 1.608 20 0 GDADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742378 720755373 /nfs/dbraw/zinc/75/53/73/720755373.db2.gz OJQIZVPBCUEWQD-OALUTQOASA-N 1 3 380.496 1.809 20 0 GDADHO COCC[N@@H+]1CCO[C@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@H]2C1 ZINC001164859588 720871239 /nfs/dbraw/zinc/87/12/39/720871239.db2.gz UOWXOWJMBDYOIZ-KSSFIOAISA-N 1 3 380.920 1.554 20 0 GDADHO COCC[N@H+]1CCO[C@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@H]2C1 ZINC001164859588 720871240 /nfs/dbraw/zinc/87/12/40/720871240.db2.gz UOWXOWJMBDYOIZ-KSSFIOAISA-N 1 3 380.920 1.554 20 0 GDADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164899170 721509887 /nfs/dbraw/zinc/50/98/87/721509887.db2.gz KPIYWRIOWOAXGZ-WMZOPIPTSA-N 1 3 383.471 1.646 20 0 GDADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CCN3C2)c1 ZINC001164896939 721519635 /nfs/dbraw/zinc/51/96/35/721519635.db2.gz CSCJVBQKYHKKRU-IEBWSBKVSA-N 1 3 398.486 1.367 20 0 GDADHO Cc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164971310 722159206 /nfs/dbraw/zinc/15/92/06/722159206.db2.gz BQTPOBRSVURIFL-UYAOXDASSA-N 1 3 394.523 1.594 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733316 950104242 /nfs/dbraw/zinc/10/42/42/950104242.db2.gz YQQDSESPGIMEKC-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574733316 950104259 /nfs/dbraw/zinc/10/42/59/950104259.db2.gz YQQDSESPGIMEKC-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908242 950356468 /nfs/dbraw/zinc/35/64/68/950356468.db2.gz SYPSOIUXUNTDSB-GUYCJALGSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524381 950858087 /nfs/dbraw/zinc/85/80/87/950858087.db2.gz WBCVBYJIZAGJRP-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524381 950858107 /nfs/dbraw/zinc/85/81/07/950858107.db2.gz WBCVBYJIZAGJRP-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575079375 951690412 /nfs/dbraw/zinc/69/04/12/951690412.db2.gz DEPKNZARJLOMEV-ZDUSSCGKSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCC[NH+](C)C ZINC001575080521 951713408 /nfs/dbraw/zinc/71/34/08/951713408.db2.gz XNUIBHLDKNEVQM-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089803 951755386 /nfs/dbraw/zinc/75/53/86/951755386.db2.gz IQZJBKJUYUNMPQ-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089803 951755390 /nfs/dbraw/zinc/75/53/90/951755390.db2.gz IQZJBKJUYUNMPQ-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089803 951755397 /nfs/dbraw/zinc/75/53/97/951755397.db2.gz IQZJBKJUYUNMPQ-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089803 951755403 /nfs/dbraw/zinc/75/54/03/951755403.db2.gz IQZJBKJUYUNMPQ-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575095730 951812273 /nfs/dbraw/zinc/81/22/73/951812273.db2.gz WBHUZRYWGBSESZ-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575095730 951812284 /nfs/dbraw/zinc/81/22/84/951812284.db2.gz WBHUZRYWGBSESZ-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575095989 951817435 /nfs/dbraw/zinc/81/74/35/951817435.db2.gz YGDMLFKRSQFNOT-KBXCAEBGSA-N 1 3 383.500 1.145 20 0 GDADHO Brc1ccc(CNCCN2CC[NH2+]CC2)c(N2CCOCC2)c1 ZINC000414892248 531464773 /nfs/dbraw/zinc/46/47/73/531464773.db2.gz XQOOHRNTLUNPBD-UHFFFAOYSA-N 1 3 383.334 1.281 20 0 GDADHO C[NH+](C)C1CCN(CCNCc2cnn3cc(Br)cnc23)CC1 ZINC000638879925 531670786 /nfs/dbraw/zinc/67/07/86/531670786.db2.gz ZIRVMERVJWXBKW-UHFFFAOYSA-N 1 3 381.322 1.607 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000617505785 531661532 /nfs/dbraw/zinc/66/15/32/531661532.db2.gz QAUFGSMFAGSZHF-ZDUSSCGKSA-N 1 3 390.575 1.000 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000617505785 531661535 /nfs/dbraw/zinc/66/15/35/531661535.db2.gz QAUFGSMFAGSZHF-ZDUSSCGKSA-N 1 3 390.575 1.000 20 0 GDADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631091536 531997005 /nfs/dbraw/zinc/99/70/05/531997005.db2.gz QFRWIBALCGECAD-UHFFFAOYSA-N 1 3 375.922 1.312 20 0 GDADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420077984 532001218 /nfs/dbraw/zinc/00/12/18/532001218.db2.gz NXSPQUXAZHTUGT-UHFFFAOYSA-N 1 3 399.333 1.193 20 0 GDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)COc1ccc(I)cc1 ZINC000422910322 532069146 /nfs/dbraw/zinc/06/91/46/532069146.db2.gz QISPOAZMKDZDEP-GMXVVIOVSA-N 1 3 378.254 1.746 20 0 GDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)COc1ccc(I)cc1 ZINC000422911071 532069408 /nfs/dbraw/zinc/06/94/08/532069408.db2.gz SCMMWKRBHVJSOP-NJZAAPMLSA-N 1 3 390.265 1.748 20 0 GDADHO C[C@H](C[C@H](C)N)[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423104361 532072234 /nfs/dbraw/zinc/07/22/34/532072234.db2.gz LYVWZDVWMQGBHJ-NWDGAFQWSA-N 1 3 378.336 1.833 20 0 GDADHO C[C@@H](C[NH+]1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045296 650304093 /nfs/dbraw/zinc/30/40/93/650304093.db2.gz LOEPPWGATJBDMS-YESZJQIVSA-N 1 3 376.563 1.257 20 0 GDADHO O=C(NCCCNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000629559931 653171996 /nfs/dbraw/zinc/17/19/96/653171996.db2.gz VJVBCAREPHDAKJ-MRXNPFEDSA-N 1 3 384.318 1.615 20 0 GDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884591 656251682 /nfs/dbraw/zinc/25/16/82/656251682.db2.gz AVOCCHZAZUXVIN-RDJZCZTQSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884591 656251684 /nfs/dbraw/zinc/25/16/84/656251684.db2.gz AVOCCHZAZUXVIN-RDJZCZTQSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884591 656251687 /nfs/dbraw/zinc/25/16/87/656251687.db2.gz AVOCCHZAZUXVIN-RDJZCZTQSA-N 1 3 395.345 1.734 20 0 GDADHO [NH3+]CCCC[C@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404776 659254033 /nfs/dbraw/zinc/25/40/33/659254033.db2.gz ZMYWDNBVRUHWFG-PBHICJAKSA-N 1 3 375.485 1.501 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748945 720814045 /nfs/dbraw/zinc/81/40/45/720814045.db2.gz SBLOGQKYDMYVEZ-CEXWTWQISA-N 1 3 396.543 1.822 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748945 720814047 /nfs/dbraw/zinc/81/40/47/720814047.db2.gz SBLOGQKYDMYVEZ-CEXWTWQISA-N 1 3 396.543 1.822 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575902879 950268271 /nfs/dbraw/zinc/26/82/71/950268271.db2.gz XPJQZMGJWYGRPB-WBMJQRKESA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575902879 950268292 /nfs/dbraw/zinc/26/82/92/950268292.db2.gz XPJQZMGJWYGRPB-WBMJQRKESA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078986 951685636 /nfs/dbraw/zinc/68/56/36/951685636.db2.gz CBCWIPQCPPEZFF-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078986 951685641 /nfs/dbraw/zinc/68/56/41/951685641.db2.gz CBCWIPQCPPEZFF-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104000 951880276 /nfs/dbraw/zinc/88/02/76/951880276.db2.gz AMLSETIBAVYKPV-OAHLLOKOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113370 951939483 /nfs/dbraw/zinc/93/94/83/951939483.db2.gz ABLAQVZNKFCMAA-OAHLLOKOSA-N 1 3 385.516 1.583 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000132915042 531085591 /nfs/dbraw/zinc/08/55/91/531085591.db2.gz OSCXLFKGIDBLFV-UHFFFAOYSA-N 1 3 388.310 1.105 20 0 GDADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000638664850 531664125 /nfs/dbraw/zinc/66/41/25/531664125.db2.gz WJCJQHCSSDEFCK-HOCLYGCPSA-N 1 3 389.327 1.812 20 0 GDADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)o1 ZINC000331275842 645489530 /nfs/dbraw/zinc/48/95/30/645489530.db2.gz ISCYYAVKRUXIFI-UHFFFAOYSA-N 1 3 394.335 1.689 20 0 GDADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629561915 653172193 /nfs/dbraw/zinc/17/21/93/653172193.db2.gz KKZWKNFRFBGPJM-MRXNPFEDSA-N 1 3 398.345 1.844 20 0 GDADHO CN(C)CCN(Cc1cccs1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632085149 653302512 /nfs/dbraw/zinc/30/25/12/653302512.db2.gz UGNAQDZBYKWXNX-UHFFFAOYSA-N 1 3 388.603 1.079 20 0 GDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000870920349 656255628 /nfs/dbraw/zinc/25/56/28/656255628.db2.gz ACXNOVBJPPFOFR-KRWDZBQOSA-N 1 3 397.361 1.839 20 0 GDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000870920349 656255632 /nfs/dbraw/zinc/25/56/32/656255632.db2.gz ACXNOVBJPPFOFR-KRWDZBQOSA-N 1 3 397.361 1.839 20 0 GDADHO CC(C)N1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905029566 659417787 /nfs/dbraw/zinc/41/77/87/659417787.db2.gz YKUMMCVTPJJFGT-MRXNPFEDSA-N 1 3 375.579 1.450 20 0 GDADHO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(n3)CCNC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835767 720518687 /nfs/dbraw/zinc/51/86/87/720518687.db2.gz LGFSTZALPNBCJY-IMFGXOCKSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)CCNC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835767 720518695 /nfs/dbraw/zinc/51/86/95/720518695.db2.gz LGFSTZALPNBCJY-IMFGXOCKSA-N 1 3 381.528 1.697 20 0 GDADHO [NH3+]C1CCN(c2ccnc(N3CCc4ncc(CN5CCCC5)n4CC3)n2)CC1 ZINC001164727340 720573450 /nfs/dbraw/zinc/57/34/50/720573450.db2.gz FARJUHYJLLKTIL-UHFFFAOYSA-N 1 3 396.543 1.259 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571283051 945873609 /nfs/dbraw/zinc/87/36/09/945873609.db2.gz YNMHVJDBZLVAKB-SOUVJXGZSA-N 1 3 387.463 1.084 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571283051 945873623 /nfs/dbraw/zinc/87/36/23/945873623.db2.gz YNMHVJDBZLVAKB-SOUVJXGZSA-N 1 3 387.463 1.084 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001571283051 945873633 /nfs/dbraw/zinc/87/36/33/945873633.db2.gz YNMHVJDBZLVAKB-SOUVJXGZSA-N 1 3 387.463 1.084 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001571283051 945873645 /nfs/dbraw/zinc/87/36/45/945873645.db2.gz YNMHVJDBZLVAKB-SOUVJXGZSA-N 1 3 387.463 1.084 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271366 949619914 /nfs/dbraw/zinc/61/99/14/949619914.db2.gz JWMKPICFWLPRLV-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271366 949619919 /nfs/dbraw/zinc/61/99/19/949619919.db2.gz JWMKPICFWLPRLV-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271366 949619923 /nfs/dbraw/zinc/61/99/23/949619923.db2.gz JWMKPICFWLPRLV-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271366 949619929 /nfs/dbraw/zinc/61/99/29/949619929.db2.gz JWMKPICFWLPRLV-MAUKXSAKSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574717222 949726676 /nfs/dbraw/zinc/72/66/76/949726676.db2.gz OAGWHLXOTPJHPQ-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574717222 949726687 /nfs/dbraw/zinc/72/66/87/949726687.db2.gz OAGWHLXOTPJHPQ-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576171206 949750599 /nfs/dbraw/zinc/75/05/99/949750599.db2.gz PKRDFWRCMXFAJF-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CC[NH+](C)C ZINC001575902877 950270283 /nfs/dbraw/zinc/27/02/83/950270283.db2.gz XPJQZMGJWYGRPB-LRDDRELGSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CC[NH+](C)C ZINC001575902877 950270301 /nfs/dbraw/zinc/27/03/01/950270301.db2.gz XPJQZMGJWYGRPB-LRDDRELGSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906940 950321594 /nfs/dbraw/zinc/32/15/94/950321594.db2.gz KZQYREHUJOACPQ-MLGOLLRUSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906940 950321623 /nfs/dbraw/zinc/32/16/23/950321623.db2.gz KZQYREHUJOACPQ-MLGOLLRUSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576230162 950992387 /nfs/dbraw/zinc/99/23/87/950992387.db2.gz LHHCRAOVYOQQDX-OCCSQVGLSA-N 1 3 389.529 1.349 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575079738 951696387 /nfs/dbraw/zinc/69/63/87/951696387.db2.gz OFIOSHHIOVTGQZ-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575079738 951696390 /nfs/dbraw/zinc/69/63/90/951696390.db2.gz OFIOSHHIOVTGQZ-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575102989 951871832 /nfs/dbraw/zinc/87/18/32/951871832.db2.gz PZABQMIRLLCQLW-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575102989 951871839 /nfs/dbraw/zinc/87/18/39/951871839.db2.gz PZABQMIRLLCQLW-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575105454 951893424 /nfs/dbraw/zinc/89/34/24/951893424.db2.gz JVVXYXOGBFFSBT-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575105454 951893430 /nfs/dbraw/zinc/89/34/30/951893430.db2.gz JVVXYXOGBFFSBT-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001575105454 951893439 /nfs/dbraw/zinc/89/34/39/951893439.db2.gz JVVXYXOGBFFSBT-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001575105454 951893447 /nfs/dbraw/zinc/89/34/47/951893447.db2.gz JVVXYXOGBFFSBT-UKRRQHHQSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575108415 951924104 /nfs/dbraw/zinc/92/41/04/951924104.db2.gz MEKKLXAMDOMABX-OAHLLOKOSA-N 1 3 383.500 1.432 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(I)c1 ZINC000103211545 530833404 /nfs/dbraw/zinc/83/34/04/530833404.db2.gz NLQMJIZRFXGTSG-UHFFFAOYSA-N 1 3 389.281 1.857 20 0 GDADHO C[C@H](NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC[NH+](C)CC1 ZINC000152152642 531146882 /nfs/dbraw/zinc/14/68/82/531146882.db2.gz KOKBWLVKFMEIFZ-AWEZNQCLSA-N 1 3 387.571 1.589 20 0 GDADHO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN(CC(C)(C)O)CC2)c(C)s1 ZINC000647909446 531903396 /nfs/dbraw/zinc/90/33/96/531903396.db2.gz OMMOPPAMBPIOLO-UHFFFAOYSA-N 1 3 389.587 1.468 20 0 GDADHO CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCC[NH3+] ZINC000419829615 531975622 /nfs/dbraw/zinc/97/56/22/531975622.db2.gz DUEMERUWUKAGLT-UHFFFAOYSA-N 1 3 389.327 1.739 20 0 GDADHO O=S(=O)(NCCC[NH2+][C@@H]1CCCNCC1)c1ccccc1Br ZINC000423110080 532072766 /nfs/dbraw/zinc/07/27/66/532072766.db2.gz UKMIORBHMYUCHM-CYBMUJFWSA-N 1 3 390.347 1.849 20 0 GDADHO CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736510226 598530834 /nfs/dbraw/zinc/53/08/34/598530834.db2.gz SHEWDYLQJAQXBE-INIZCTEOSA-N 1 3 381.488 1.346 20 0 GDADHO CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736510226 598530837 /nfs/dbraw/zinc/53/08/37/598530837.db2.gz SHEWDYLQJAQXBE-INIZCTEOSA-N 1 3 381.488 1.346 20 0 GDADHO CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736510226 598530839 /nfs/dbraw/zinc/53/08/39/598530839.db2.gz SHEWDYLQJAQXBE-INIZCTEOSA-N 1 3 381.488 1.346 20 0 GDADHO CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736510226 598530840 /nfs/dbraw/zinc/53/08/40/598530840.db2.gz SHEWDYLQJAQXBE-INIZCTEOSA-N 1 3 381.488 1.346 20 0 GDADHO [NH3+]C[C@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(F)(F)F ZINC000655928228 653994734 /nfs/dbraw/zinc/99/47/34/653994734.db2.gz MLXAYFWRUZFYEG-ILDUYXDCSA-N 1 3 376.345 1.981 20 0 GDADHO CCCC[C@@H](CN)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963878 655363093 /nfs/dbraw/zinc/36/30/93/655363093.db2.gz WQQDIMFKNUGMAH-ZFWWWQNUSA-N 1 3 391.559 1.580 20 0 GDADHO COC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(Br)c1 ZINC000873223559 656389991 /nfs/dbraw/zinc/38/99/91/656389991.db2.gz QMIPUDJYGOPIHQ-XJKSGUPXSA-N 1 3 384.318 1.924 20 0 GDADHO COC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(Br)c1 ZINC000873223557 656390022 /nfs/dbraw/zinc/39/00/22/656390022.db2.gz QMIPUDJYGOPIHQ-CJNGLKHVSA-N 1 3 384.318 1.924 20 0 GDADHO CN(CCN1CC[NH2+]CC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923288265 656542957 /nfs/dbraw/zinc/54/29/57/656542957.db2.gz ZAEQOTKFLQMGOO-OAHLLOKOSA-N 1 3 390.297 1.165 20 0 GDADHO CC1(C)[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925477966 656713730 /nfs/dbraw/zinc/71/37/30/656713730.db2.gz LBHXPICENGPXJQ-HZSPNIEDSA-N 1 3 383.480 1.914 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)nn1C ZINC000879637673 656810859 /nfs/dbraw/zinc/81/08/59/656810859.db2.gz VGACTRPJLNSYMW-NSHDSACASA-N 1 3 375.315 1.576 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)nn1C ZINC000879637673 656810870 /nfs/dbraw/zinc/81/08/70/656810870.db2.gz VGACTRPJLNSYMW-NSHDSACASA-N 1 3 375.315 1.576 20 0 GDADHO [NH3+]CCCC[C@H](NCC[C@H]1CNCCS1(=O)=O)c1ccc(F)cc1F ZINC000902404779 659253967 /nfs/dbraw/zinc/25/39/67/659253967.db2.gz ZMYWDNBVRUHWFG-YOEHRIQHSA-N 1 3 375.485 1.501 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574150638 950036988 /nfs/dbraw/zinc/03/69/88/950036988.db2.gz CVVAVAAOWKBUBD-QZTJIDSGSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574150638 950037010 /nfs/dbraw/zinc/03/70/10/950037010.db2.gz CVVAVAAOWKBUBD-QZTJIDSGSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574733181 950099757 /nfs/dbraw/zinc/09/97/57/950099757.db2.gz VCAHIYUTCJAVCH-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574733181 950099780 /nfs/dbraw/zinc/09/97/80/950099780.db2.gz VCAHIYUTCJAVCH-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574733181 950099798 /nfs/dbraw/zinc/09/97/98/950099798.db2.gz VCAHIYUTCJAVCH-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574733181 950099819 /nfs/dbraw/zinc/09/98/19/950099819.db2.gz VCAHIYUTCJAVCH-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)NC(=O)CC[NH+](C)C ZINC001574522514 950794367 /nfs/dbraw/zinc/79/43/67/950794367.db2.gz JVBZGDWULZIGJU-STQMWFEESA-N 1 3 377.468 1.330 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)NC(=O)CC[NH+](C)C ZINC001574522514 950794382 /nfs/dbraw/zinc/79/43/82/950794382.db2.gz JVBZGDWULZIGJU-STQMWFEESA-N 1 3 377.468 1.330 20 0 GDADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575088490 951739476 /nfs/dbraw/zinc/73/94/76/951739476.db2.gz ACSCDOMGRUJLPK-MRXNPFEDSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575088490 951739482 /nfs/dbraw/zinc/73/94/82/951739482.db2.gz ACSCDOMGRUJLPK-MRXNPFEDSA-N 1 3 385.516 1.585 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089110 951745800 /nfs/dbraw/zinc/74/58/00/951745800.db2.gz DMEDKNVHJQQPSS-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089110 951745805 /nfs/dbraw/zinc/74/58/05/951745805.db2.gz DMEDKNVHJQQPSS-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089114 951745823 /nfs/dbraw/zinc/74/58/23/951745823.db2.gz DMEDKNVHJQQPSS-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089114 951745829 /nfs/dbraw/zinc/74/58/29/951745829.db2.gz DMEDKNVHJQQPSS-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575109933 951935677 /nfs/dbraw/zinc/93/56/77/951935677.db2.gz WBDYTMHDGSDIMO-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575109933 951935680 /nfs/dbraw/zinc/93/56/80/951935680.db2.gz WBDYTMHDGSDIMO-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575109933 951935682 /nfs/dbraw/zinc/93/56/82/951935682.db2.gz WBDYTMHDGSDIMO-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575109933 951935685 /nfs/dbraw/zinc/93/56/85/951935685.db2.gz WBDYTMHDGSDIMO-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000451231031 531570927 /nfs/dbraw/zinc/57/09/27/531570927.db2.gz PASNVYKYISJUJV-OLZOCXBDSA-N 1 3 386.436 1.618 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000451283585 531583704 /nfs/dbraw/zinc/58/37/04/531583704.db2.gz NSAXTQCIVSRTRO-OLZOCXBDSA-N 1 3 388.452 1.864 20 0 GDADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H](C)O1 ZINC000583837850 531598018 /nfs/dbraw/zinc/59/80/18/531598018.db2.gz FPULXDKWWFPGIZ-ZIAGYGMSSA-N 1 3 389.949 1.966 20 0 GDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662527275 531685589 /nfs/dbraw/zinc/68/55/89/531685589.db2.gz SIEBPQZXGAQEBD-QGZVFWFLSA-N 1 3 397.361 1.839 20 0 GDADHO N[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000662571373 531690266 /nfs/dbraw/zinc/69/02/66/531690266.db2.gz NBRANEIOKTWQEX-KVULBXGLSA-N 1 3 395.345 1.782 20 0 GDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423109789 532073035 /nfs/dbraw/zinc/07/30/35/532073035.db2.gz UXJLBBZZGIKJNV-SUHUHFCYSA-N 1 3 379.885 1.099 20 0 GDADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000575121964 651583821 /nfs/dbraw/zinc/58/38/21/651583821.db2.gz UAQCSDFHSYKAAL-JKSUJKDBSA-N 1 3 382.302 1.756 20 0 GDADHO C[N@H+](C[C@H](O)CNC[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301719 651987533 /nfs/dbraw/zinc/98/75/33/651987533.db2.gz RPWLEXJVYHLSSZ-BLLLJJGKSA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@H](O)CNC[C@@H](CO)Cc1cc(Br)ccc1F)C1CC1 ZINC000582301719 651987537 /nfs/dbraw/zinc/98/75/37/651987537.db2.gz RPWLEXJVYHLSSZ-BLLLJJGKSA-N 1 3 389.309 1.784 20 0 GDADHO CSc1ccc(Cl)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000657839473 654167026 /nfs/dbraw/zinc/16/70/26/654167026.db2.gz WKDWWHFJKQSYFZ-UHFFFAOYSA-N 1 3 386.949 1.952 20 0 GDADHO C[C@]12CCN(CCN3CC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000852755087 655622288 /nfs/dbraw/zinc/62/22/88/655622288.db2.gz XCFKZNDKUNDEQK-NEPJUHHUSA-N 1 3 381.156 1.720 20 0 GDADHO C[NH+](C)CC1(O)CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000931488102 657102955 /nfs/dbraw/zinc/10/29/55/657102955.db2.gz OMBLBVWZVZNXDU-HNNXBMFYSA-N 1 3 387.318 1.577 20 0 GDADHO [NH3+][C@@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227841 657337616 /nfs/dbraw/zinc/33/76/16/657337616.db2.gz ZEURQKOBHSMRCM-XJKSGUPXSA-N 1 3 382.302 1.630 20 0 GDADHO N[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000884338580 657348359 /nfs/dbraw/zinc/34/83/59/657348359.db2.gz MNRJROGJCZKTIH-JCYILVPMSA-N 1 3 395.345 1.782 20 0 GDADHO N[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1 ZINC000884338580 657348365 /nfs/dbraw/zinc/34/83/65/657348365.db2.gz MNRJROGJCZKTIH-JCYILVPMSA-N 1 3 395.345 1.782 20 0 GDADHO Cc1nn(C)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1Br ZINC000903980128 659392064 /nfs/dbraw/zinc/39/20/64/659392064.db2.gz IXCYRNOJTRKMSO-GASCZTMLSA-N 1 3 382.350 1.892 20 0 GDADHO c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742385 720758153 /nfs/dbraw/zinc/75/81/53/720758153.db2.gz OJQIZVPBCUEWQD-RTBURBONSA-N 1 3 380.496 1.809 20 0 GDADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164908744 721537181 /nfs/dbraw/zinc/53/71/81/721537181.db2.gz QLKAGSOUWJAZCA-HKUYNNGSSA-N 1 3 398.486 1.367 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574153937 950157616 /nfs/dbraw/zinc/15/76/16/950157616.db2.gz YETQMTJOJYBTKZ-IAGOWNOFSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574153937 950157632 /nfs/dbraw/zinc/15/76/32/950157632.db2.gz YETQMTJOJYBTKZ-IAGOWNOFSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574153937 950157643 /nfs/dbraw/zinc/15/76/43/950157643.db2.gz YETQMTJOJYBTKZ-IAGOWNOFSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574153937 950157653 /nfs/dbraw/zinc/15/76/53/950157653.db2.gz YETQMTJOJYBTKZ-IAGOWNOFSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576194185 950331904 /nfs/dbraw/zinc/33/19/04/950331904.db2.gz XMCWOUCOYQDZOG-KGLIPLIRSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576194185 950331923 /nfs/dbraw/zinc/33/19/23/950331923.db2.gz XMCWOUCOYQDZOG-KGLIPLIRSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204724 950474344 /nfs/dbraw/zinc/47/43/44/950474344.db2.gz BBJWQCPMSWFCHR-KGLIPLIRSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576204724 950474354 /nfs/dbraw/zinc/47/43/54/950474354.db2.gz BBJWQCPMSWFCHR-KGLIPLIRSA-N 1 3 389.479 1.332 20 0 GDADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576228692 950952331 /nfs/dbraw/zinc/95/23/31/950952331.db2.gz IKIZFINDVYSWNF-PBHICJAKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576228692 950952343 /nfs/dbraw/zinc/95/23/43/950952343.db2.gz IKIZFINDVYSWNF-PBHICJAKSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079363 951690089 /nfs/dbraw/zinc/69/00/89/951690089.db2.gz DCDBDUXNAXMSBZ-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575079363 951690093 /nfs/dbraw/zinc/69/00/93/951690093.db2.gz DCDBDUXNAXMSBZ-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079363 951690096 /nfs/dbraw/zinc/69/00/96/951690096.db2.gz DCDBDUXNAXMSBZ-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575079363 951690101 /nfs/dbraw/zinc/69/01/01/951690101.db2.gz DCDBDUXNAXMSBZ-HIFRSBDPSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079909 951699638 /nfs/dbraw/zinc/69/96/38/951699638.db2.gz STYUODKUDNBUCR-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079909 951699640 /nfs/dbraw/zinc/69/96/40/951699640.db2.gz STYUODKUDNBUCR-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079909 951699641 /nfs/dbraw/zinc/69/96/41/951699641.db2.gz STYUODKUDNBUCR-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079909 951699643 /nfs/dbraw/zinc/69/96/43/951699643.db2.gz STYUODKUDNBUCR-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575106750 951907558 /nfs/dbraw/zinc/90/75/58/951907558.db2.gz UHFIFMBCPOZMCQ-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575106750 951907563 /nfs/dbraw/zinc/90/75/63/951907563.db2.gz UHFIFMBCPOZMCQ-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575106750 951907569 /nfs/dbraw/zinc/90/75/69/951907569.db2.gz UHFIFMBCPOZMCQ-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575106750 951907575 /nfs/dbraw/zinc/90/75/75/951907575.db2.gz UHFIFMBCPOZMCQ-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575109257 951930530 /nfs/dbraw/zinc/93/05/30/951930530.db2.gz QMDRJURMQLCOAX-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575109257 951930539 /nfs/dbraw/zinc/93/05/39/951930539.db2.gz QMDRJURMQLCOAX-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2cc(F)cc(Br)c2)C1 ZINC000262126567 531109422 /nfs/dbraw/zinc/10/94/22/531109422.db2.gz NEMXDLRYDHVOAG-GFCCVEGCSA-N 1 3 388.281 1.754 20 0 GDADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000523167244 531264756 /nfs/dbraw/zinc/26/47/56/531264756.db2.gz UYMDDHYSDHLVJU-UHFFFAOYSA-N 1 3 399.337 1.530 20 0 GDADHO C[N@H+](CCOc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680655 531461753 /nfs/dbraw/zinc/46/17/53/531461753.db2.gz NJUDRTRXCAVXQG-CQSZACIVSA-N 1 3 384.318 1.957 20 0 GDADHO C[N@@H+](CCOc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680655 531461756 /nfs/dbraw/zinc/46/17/56/531461756.db2.gz NJUDRTRXCAVXQG-CQSZACIVSA-N 1 3 384.318 1.957 20 0 GDADHO C[C@@H](NC[C@H](O)C(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000484478008 647918447 /nfs/dbraw/zinc/91/84/47/647918447.db2.gz RJRLYSKQFWGDAF-DOMZBBRYSA-N 1 3 379.473 1.193 20 0 GDADHO Cc1ccc(C[C@@H](CO)CNC[C@@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039567 651088834 /nfs/dbraw/zinc/08/88/34/651088834.db2.gz QQUGPRKPYDQROX-NVXWUHKLSA-N 1 3 385.346 1.953 20 0 GDADHO Cc1ccc(C[C@@H](CO)CNC[C@@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039567 651088835 /nfs/dbraw/zinc/08/88/35/651088835.db2.gz QQUGPRKPYDQROX-NVXWUHKLSA-N 1 3 385.346 1.953 20 0 GDADHO O=S(=O)([N-]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1F ZINC000647796527 653634711 /nfs/dbraw/zinc/63/47/11/653634711.db2.gz COFKYZDCXNPRGZ-YRGRVCCFSA-N 1 3 375.897 1.735 20 0 GDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H](N)c2cccc(Br)c2)CC1 ZINC000870920350 656255664 /nfs/dbraw/zinc/25/56/64/656255664.db2.gz ACXNOVBJPPFOFR-QGZVFWFLSA-N 1 3 397.361 1.839 20 0 GDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H](N)c2cccc(Br)c2)CC1 ZINC000870920350 656255666 /nfs/dbraw/zinc/25/56/66/656255666.db2.gz ACXNOVBJPPFOFR-QGZVFWFLSA-N 1 3 397.361 1.839 20 0 GDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000923321686 656544535 /nfs/dbraw/zinc/54/45/35/656544535.db2.gz OQXISFHUTINIGP-SAXRGWBVSA-N 1 3 383.290 1.345 20 0 GDADHO COCCN(Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000877664805 656686839 /nfs/dbraw/zinc/68/68/39/656686839.db2.gz XNTUJVBDHPIXGW-UHFFFAOYSA-N 1 3 389.949 1.778 20 0 GDADHO Cn1cc(CN2CC[C@@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164773398 721167192 /nfs/dbraw/zinc/16/71/92/721167192.db2.gz WYVXOMORPNJNEQ-MSOLQXFVSA-N 1 3 396.543 1.096 20 0 GDADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164899168 721510390 /nfs/dbraw/zinc/51/03/90/721510390.db2.gz KPIYWRIOWOAXGZ-SJLPKXTDSA-N 1 3 383.471 1.646 20 0 GDADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980826 722104021 /nfs/dbraw/zinc/10/40/21/722104021.db2.gz KNEBZSMBGHNOEP-PZJWPPBQSA-N 1 3 379.508 1.850 20 0 GDADHO c1cncc(CN2CCO[C@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980764 722105302 /nfs/dbraw/zinc/10/53/02/722105302.db2.gz KHUHQTTYNKDADR-XLIONFOSSA-N 1 3 380.496 1.245 20 0 GDADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704493 949391064 /nfs/dbraw/zinc/39/10/64/949391064.db2.gz NMBBZCUFWBFZMM-CYBMUJFWSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574713527 949605619 /nfs/dbraw/zinc/60/56/19/949605619.db2.gz XWRYKPHHYIGSDR-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576171208 949756839 /nfs/dbraw/zinc/75/68/39/949756839.db2.gz PKRDFWRCMXFAJF-YJBOKZPZSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574740254 950226689 /nfs/dbraw/zinc/22/66/89/950226689.db2.gz CXDKNYGYOLFEKH-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574740254 950226703 /nfs/dbraw/zinc/22/67/03/950226703.db2.gz CXDKNYGYOLFEKH-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575905790 950303434 /nfs/dbraw/zinc/30/34/34/950303434.db2.gz FMZSIWMQTXRZEG-JSGCOSHPSA-N 1 3 375.502 1.103 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907756 950342991 /nfs/dbraw/zinc/34/29/91/950342991.db2.gz QHBDEAZHLNXQMS-PBHICJAKSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907756 950343012 /nfs/dbraw/zinc/34/30/12/950343012.db2.gz QHBDEAZHLNXQMS-PBHICJAKSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082165 951731276 /nfs/dbraw/zinc/73/12/76/951731276.db2.gz VHHFUXPXLNIHRY-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082165 951731283 /nfs/dbraw/zinc/73/12/83/951731283.db2.gz VHHFUXPXLNIHRY-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082165 951731290 /nfs/dbraw/zinc/73/12/90/951731290.db2.gz VHHFUXPXLNIHRY-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082165 951731299 /nfs/dbraw/zinc/73/12/99/951731299.db2.gz VHHFUXPXLNIHRY-GZBFAFLISA-N 1 3 389.479 1.188 20 0 GDADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[NH+](C)C ZINC001575103872 951880418 /nfs/dbraw/zinc/88/04/18/951880418.db2.gz WWONKVJBBLVQII-DYVFJYSZSA-N 1 3 391.495 1.434 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234682 953204322 /nfs/dbraw/zinc/20/43/22/953204322.db2.gz FTVZRIDXHQENAK-SJORKVTESA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571234682 953204325 /nfs/dbraw/zinc/20/43/25/953204325.db2.gz FTVZRIDXHQENAK-SJORKVTESA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234682 953204328 /nfs/dbraw/zinc/20/43/28/953204328.db2.gz FTVZRIDXHQENAK-SJORKVTESA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571234682 953204331 /nfs/dbraw/zinc/20/43/31/953204331.db2.gz FTVZRIDXHQENAK-SJORKVTESA-N 1 3 383.500 1.147 20 0 GDADHO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457465 531228679 /nfs/dbraw/zinc/22/86/79/531228679.db2.gz OHOIKBCAFYYVPT-OLZOCXBDSA-N 1 3 388.452 1.864 20 0 GDADHO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457465 531228688 /nfs/dbraw/zinc/22/86/88/531228688.db2.gz OHOIKBCAFYYVPT-OLZOCXBDSA-N 1 3 388.452 1.864 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000531119117 531405815 /nfs/dbraw/zinc/40/58/15/531405815.db2.gz DYLLURMMERVRSC-UHFFFAOYSA-N 1 3 389.327 1.675 20 0 GDADHO C[C@H](NC[C@@H](O)C(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000484478018 531419427 /nfs/dbraw/zinc/41/94/27/531419427.db2.gz RJRLYSKQFWGDAF-SWLSCSKDSA-N 1 3 379.473 1.193 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000451283587 531584062 /nfs/dbraw/zinc/58/40/62/531584062.db2.gz NSAXTQCIVSRTRO-STQMWFEESA-N 1 3 388.452 1.864 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1Br ZINC000559617878 531606398 /nfs/dbraw/zinc/60/63/98/531606398.db2.gz SAWJWTWJVWVMRO-UHFFFAOYSA-N 1 3 399.333 1.017 20 0 GDADHO CN(Cc1ccc(S(N)(=O)=O)c(Br)c1)CC1CC[NH+](C)CC1 ZINC000638029510 531641632 /nfs/dbraw/zinc/64/16/32/531641632.db2.gz QFOIIXYWBKTFOU-UHFFFAOYSA-N 1 3 390.347 1.870 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000666090213 531747650 /nfs/dbraw/zinc/74/76/50/531747650.db2.gz MPQAJJFSRRCQSE-HOCLYGCPSA-N 1 3 397.361 1.757 20 0 GDADHO Ic1cnc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000601325478 532061304 /nfs/dbraw/zinc/06/13/04/532061304.db2.gz CXKRRWFHNGEEFC-LBPRGKRZSA-N 1 3 387.269 1.203 20 0 GDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736765170 598932293 /nfs/dbraw/zinc/93/22/93/598932293.db2.gz VEQSSSIGRRMGKE-UHFFFAOYSA-N 1 3 399.543 1.783 20 0 GDADHO CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736530165 599609323 /nfs/dbraw/zinc/60/93/23/599609323.db2.gz FFJIVTCTYDFIBR-UHFFFAOYSA-N 1 3 399.543 1.927 20 0 GDADHO CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736530165 599609325 /nfs/dbraw/zinc/60/93/25/599609325.db2.gz FFJIVTCTYDFIBR-UHFFFAOYSA-N 1 3 399.543 1.927 20 0 GDADHO CN(Cc1ccccc1Br)C(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629561914 653172321 /nfs/dbraw/zinc/17/23/21/653172321.db2.gz KKZWKNFRFBGPJM-INIZCTEOSA-N 1 3 398.345 1.844 20 0 GDADHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnc1Br ZINC000855346883 655692472 /nfs/dbraw/zinc/69/24/72/655692472.db2.gz NCNTXLASDLKQER-LBPRGKRZSA-N 1 3 387.322 1.855 20 0 GDADHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnc1Br ZINC000855346883 655692473 /nfs/dbraw/zinc/69/24/73/655692473.db2.gz NCNTXLASDLKQER-LBPRGKRZSA-N 1 3 387.322 1.855 20 0 GDADHO CC(C)(C)NS(=O)(=O)C1([C@@H](O)C[NH2+]CCCN2CCCCC2)CCC1 ZINC000899861542 659062463 /nfs/dbraw/zinc/06/24/63/659062463.db2.gz UBAGVPDJCGPGIO-INIZCTEOSA-N 1 3 375.579 1.454 20 0 GDADHO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294126 946125509 /nfs/dbraw/zinc/12/55/09/946125509.db2.gz BGNGLWLAVNBMSQ-DZGCQCFKSA-N 1 3 389.529 1.351 20 0 GDADHO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294126 946125517 /nfs/dbraw/zinc/12/55/17/946125517.db2.gz BGNGLWLAVNBMSQ-DZGCQCFKSA-N 1 3 389.529 1.351 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711145 949528552 /nfs/dbraw/zinc/52/85/52/949528552.db2.gz DQIDBZOLXRUIBF-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711145 949528567 /nfs/dbraw/zinc/52/85/67/949528567.db2.gz DQIDBZOLXRUIBF-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957031 949596730 /nfs/dbraw/zinc/59/67/30/949596730.db2.gz QNDNCRXNDQQRIM-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957031 949596744 /nfs/dbraw/zinc/59/67/44/949596744.db2.gz QNDNCRXNDQQRIM-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957031 949596758 /nfs/dbraw/zinc/59/67/58/949596758.db2.gz QNDNCRXNDQQRIM-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957031 949596765 /nfs/dbraw/zinc/59/67/65/949596765.db2.gz QNDNCRXNDQQRIM-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906340 950314008 /nfs/dbraw/zinc/31/40/08/950314008.db2.gz HPIQUUCUVNBDEQ-RHSMWYFYSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575906340 950314032 /nfs/dbraw/zinc/31/40/32/950314032.db2.gz HPIQUUCUVNBDEQ-RHSMWYFYSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089830 951755518 /nfs/dbraw/zinc/75/55/18/951755518.db2.gz IQZJBKJUYUNMPQ-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575089830 951755521 /nfs/dbraw/zinc/75/55/21/951755521.db2.gz IQZJBKJUYUNMPQ-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089830 951755525 /nfs/dbraw/zinc/75/55/25/951755525.db2.gz IQZJBKJUYUNMPQ-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575089830 951755530 /nfs/dbraw/zinc/75/55/30/951755530.db2.gz IQZJBKJUYUNMPQ-YJBOKZPZSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575103999 951879388 /nfs/dbraw/zinc/87/93/88/951879388.db2.gz AMLSETIBAVYKPV-HNNXBMFYSA-N 1 3 385.516 1.583 20 0 GDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388344 1126134831 /nfs/dbraw/zinc/13/48/31/1126134831.db2.gz PFYAWTYBYSFWMS-MTNOOBJLSA-N 1 3 380.558 1.549 20 0 GDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388344 1126134835 /nfs/dbraw/zinc/13/48/35/1126134835.db2.gz PFYAWTYBYSFWMS-MTNOOBJLSA-N 1 3 380.558 1.549 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000451372650 531599980 /nfs/dbraw/zinc/59/99/80/531599980.db2.gz YAMKIAVBOJWJBP-CYBMUJFWSA-N 1 3 388.452 1.864 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000428229533 532201515 /nfs/dbraw/zinc/20/15/15/532201515.db2.gz OVHLVFQPUOODCO-CQSZACIVSA-N 1 3 385.350 1.615 20 0 GDADHO Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000737526193 598852109 /nfs/dbraw/zinc/85/21/09/598852109.db2.gz XXHKITKSQGQCSV-UHFFFAOYSA-N 1 3 381.488 1.665 20 0 GDADHO Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000737526193 598852110 /nfs/dbraw/zinc/85/21/10/598852110.db2.gz XXHKITKSQGQCSV-UHFFFAOYSA-N 1 3 381.488 1.665 20 0 GDADHO C[N@H+](C[C@H](O)CNC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716651 650809907 /nfs/dbraw/zinc/80/99/07/650809907.db2.gz KIMFZIBXJJUBBC-UKRRQHHQSA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@H](O)CNC[C@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716651 650809911 /nfs/dbraw/zinc/80/99/11/650809911.db2.gz KIMFZIBXJJUBBC-UKRRQHHQSA-N 1 3 389.309 1.784 20 0 GDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624392574 653012057 /nfs/dbraw/zinc/01/20/57/653012057.db2.gz UMPYBEVULPKSED-ZFWWWQNUSA-N 1 3 379.448 1.896 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000658534855 654197114 /nfs/dbraw/zinc/19/71/14/654197114.db2.gz DRDWRFPVPKKLQW-UHFFFAOYSA-N 1 3 389.327 1.561 20 0 GDADHO Ic1cnnn1C1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000852760069 655622200 /nfs/dbraw/zinc/62/22/00/655622200.db2.gz VTACPHTVFDLMHL-UHFFFAOYSA-N 1 3 389.285 1.909 20 0 GDADHO Ic1cnnn1C1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000852758978 655622291 /nfs/dbraw/zinc/62/22/91/655622291.db2.gz IDFVPFKLPXOYBP-LLVKDONJSA-N 1 3 375.258 1.519 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2COc3cccc(Br)c3C2)C1 ZINC000873223195 656389849 /nfs/dbraw/zinc/38/98/49/656389849.db2.gz LNZBFNXYOGROJT-STQMWFEESA-N 1 3 382.302 1.540 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882768179 657223587 /nfs/dbraw/zinc/22/35/87/657223587.db2.gz TZIOUUJYZQNECZ-GFCCVEGCSA-N 1 3 386.436 1.761 20 0 GDADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164762033 721176960 /nfs/dbraw/zinc/17/69/60/721176960.db2.gz BYPOZQGYKLOPGM-RTBURBONSA-N 1 3 381.528 1.183 20 0 GDADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574702118 949280249 /nfs/dbraw/zinc/28/02/49/949280249.db2.gz HCQVFTKZXDYHCI-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574702118 949280270 /nfs/dbraw/zinc/28/02/70/949280270.db2.gz HCQVFTKZXDYHCI-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574721142 949811213 /nfs/dbraw/zinc/81/12/13/949811213.db2.gz JNEDOLQQYCDAGL-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576205754 950536958 /nfs/dbraw/zinc/53/69/58/950536958.db2.gz OKXRWLWRCDDALR-AWEZNQCLSA-N 1 3 391.545 1.645 20 0 GDADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205857 950542995 /nfs/dbraw/zinc/54/29/95/950542995.db2.gz QMWKTTNKMMHTHB-YWVDXFKGSA-N 1 3 375.502 1.032 20 0 GDADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205857 950543012 /nfs/dbraw/zinc/54/30/12/950543012.db2.gz QMWKTTNKMMHTHB-YWVDXFKGSA-N 1 3 375.502 1.032 20 0 GDADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575078989 951685743 /nfs/dbraw/zinc/68/57/43/951685743.db2.gz CBCWIPQCPPEZFF-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575078989 951685749 /nfs/dbraw/zinc/68/57/49/951685749.db2.gz CBCWIPQCPPEZFF-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[NH+](C)C ZINC001575079819 951697457 /nfs/dbraw/zinc/69/74/57/951697457.db2.gz GMLCOVYFUPJRMM-SUMWQHHRSA-N 1 3 391.495 1.434 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575079847 951698137 /nfs/dbraw/zinc/69/81/37/951698137.db2.gz HIFDAKSMMMZTCA-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575079847 951698146 /nfs/dbraw/zinc/69/81/46/951698146.db2.gz HIFDAKSMMMZTCA-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575079847 951698152 /nfs/dbraw/zinc/69/81/52/951698152.db2.gz HIFDAKSMMMZTCA-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575079847 951698156 /nfs/dbraw/zinc/69/81/56/951698156.db2.gz HIFDAKSMMMZTCA-XJKCOSOUSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082388 951734842 /nfs/dbraw/zinc/73/48/42/951734842.db2.gz YAZZSKORZPTKOQ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575082388 951734848 /nfs/dbraw/zinc/73/48/48/951734848.db2.gz YAZZSKORZPTKOQ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082388 951734854 /nfs/dbraw/zinc/73/48/54/951734854.db2.gz YAZZSKORZPTKOQ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575082388 951734859 /nfs/dbraw/zinc/73/48/59/951734859.db2.gz YAZZSKORZPTKOQ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001575095123 951809702 /nfs/dbraw/zinc/80/97/02/951809702.db2.gz RWWFQZWQKFWIJW-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001575095123 951809705 /nfs/dbraw/zinc/80/97/05/951809705.db2.gz RWWFQZWQKFWIJW-MPGHIAIKSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101277 951856042 /nfs/dbraw/zinc/85/60/42/951856042.db2.gz BKDMGLMNDUTBQS-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101277 951856048 /nfs/dbraw/zinc/85/60/48/951856048.db2.gz BKDMGLMNDUTBQS-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101277 951856051 /nfs/dbraw/zinc/85/60/51/951856051.db2.gz BKDMGLMNDUTBQS-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101277 951856054 /nfs/dbraw/zinc/85/60/54/951856054.db2.gz BKDMGLMNDUTBQS-DZGCQCFKSA-N 1 3 389.479 1.190 20 0 GDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571233775 953196323 /nfs/dbraw/zinc/19/63/23/953196323.db2.gz CWSJVXSOTMYVTB-OKZBNKHCSA-N 1 3 383.500 1.288 20 0 GDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571233775 953196326 /nfs/dbraw/zinc/19/63/26/953196326.db2.gz CWSJVXSOTMYVTB-OKZBNKHCSA-N 1 3 383.500 1.288 20 0 GDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571233775 953196332 /nfs/dbraw/zinc/19/63/32/953196332.db2.gz CWSJVXSOTMYVTB-OKZBNKHCSA-N 1 3 383.500 1.288 20 0 GDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571233775 953196334 /nfs/dbraw/zinc/19/63/34/953196334.db2.gz CWSJVXSOTMYVTB-OKZBNKHCSA-N 1 3 383.500 1.288 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234687 953204544 /nfs/dbraw/zinc/20/45/44/953204544.db2.gz FUXXLGLTCRCNGV-JKSUJKDBSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234687 953204546 /nfs/dbraw/zinc/20/45/46/953204546.db2.gz FUXXLGLTCRCNGV-JKSUJKDBSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234687 953204547 /nfs/dbraw/zinc/20/45/47/953204547.db2.gz FUXXLGLTCRCNGV-JKSUJKDBSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234687 953204549 /nfs/dbraw/zinc/20/45/49/953204549.db2.gz FUXXLGLTCRCNGV-JKSUJKDBSA-N 1 3 383.500 1.147 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1Br ZINC000130534730 531062433 /nfs/dbraw/zinc/06/24/33/531062433.db2.gz MTBBHAWRYBXZBP-UHFFFAOYSA-N 1 3 385.306 1.339 20 0 GDADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](CO)c1cccc(Br)c1 ZINC000414715623 531462749 /nfs/dbraw/zinc/46/27/49/531462749.db2.gz YWIGRZHXXIWIIM-XJKSGUPXSA-N 1 3 384.318 1.612 20 0 GDADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](CO)c1cccc(Br)c1 ZINC000414715623 531462754 /nfs/dbraw/zinc/46/27/54/531462754.db2.gz YWIGRZHXXIWIIM-XJKSGUPXSA-N 1 3 384.318 1.612 20 0 GDADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](CO)c1cccc(Br)c1 ZINC000414715618 531463262 /nfs/dbraw/zinc/46/32/62/531463262.db2.gz YWIGRZHXXIWIIM-CJNGLKHVSA-N 1 3 384.318 1.612 20 0 GDADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](CO)c1cccc(Br)c1 ZINC000414715618 531463263 /nfs/dbraw/zinc/46/32/63/531463263.db2.gz YWIGRZHXXIWIIM-CJNGLKHVSA-N 1 3 384.318 1.612 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1c(Br)cnn1C ZINC000637263560 531616186 /nfs/dbraw/zinc/61/61/86/531616186.db2.gz IDGPCRHLHUIMSQ-LBPRGKRZSA-N 1 3 389.342 1.254 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1c(Br)cnn1C ZINC000637263560 531616190 /nfs/dbraw/zinc/61/61/90/531616190.db2.gz IDGPCRHLHUIMSQ-LBPRGKRZSA-N 1 3 389.342 1.254 20 0 GDADHO CC(C)[NH+]1CCC(O)(CNCc2cnn3cc(Br)cnc23)CC1 ZINC000638740068 531666773 /nfs/dbraw/zinc/66/67/73/531666773.db2.gz YCPGYVZQNIDLKT-UHFFFAOYSA-N 1 3 382.306 1.817 20 0 GDADHO Cn1cc(Br)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000640313459 531738302 /nfs/dbraw/zinc/73/83/02/531738302.db2.gz LSKPXUKRYZBCJS-UHFFFAOYSA-N 1 3 399.337 1.863 20 0 GDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423101144 646114370 /nfs/dbraw/zinc/11/43/70/646114370.db2.gz IEPLRUMKZCFPPD-TZMCWYRMSA-N 1 3 390.347 1.835 20 0 GDADHO C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1CC[NH3+] ZINC000903495949 659318343 /nfs/dbraw/zinc/31/83/43/659318343.db2.gz CXRBLEHZNREIMR-CHWSQXEVSA-N 1 3 397.317 1.421 20 0 GDADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)COc1ccc(Br)cc1 ZINC000572363829 651095122 /nfs/dbraw/zinc/09/51/22/651095122.db2.gz JDAKHABYCITLLG-MRXNPFEDSA-N 1 3 387.318 1.625 20 0 GDADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602551366 652640888 /nfs/dbraw/zinc/64/08/88/652640888.db2.gz IQTCEICFSRKWRD-KGLIPLIRSA-N 1 3 376.284 1.993 20 0 GDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000624392571 653012130 /nfs/dbraw/zinc/01/21/30/653012130.db2.gz UMPYBEVULPKSED-DZGCQCFKSA-N 1 3 379.448 1.896 20 0 GDADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)CN2CCCC2)s1 ZINC000629559848 653171929 /nfs/dbraw/zinc/17/19/29/653171929.db2.gz NZCKXUYTHHRHBN-OAHLLOKOSA-N 1 3 389.587 1.367 20 0 GDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccccc1Br ZINC000849096172 655517261 /nfs/dbraw/zinc/51/72/61/655517261.db2.gz GQPSILICXQYIPL-UONOGXRCSA-N 1 3 399.333 1.787 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000870856346 656250563 /nfs/dbraw/zinc/25/05/63/656250563.db2.gz VZLGOJKYBLQIAG-HOTGVXAUSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000870856346 656250564 /nfs/dbraw/zinc/25/05/64/656250564.db2.gz VZLGOJKYBLQIAG-HOTGVXAUSA-N 1 3 384.318 1.922 20 0 GDADHO [NH3+]CC1(O)CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923382691 656547941 /nfs/dbraw/zinc/54/79/41/656547941.db2.gz SXNZHFNNAFWIKU-CYBMUJFWSA-N 1 3 377.254 1.114 20 0 GDADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1occc1Br ZINC000914390469 660145509 /nfs/dbraw/zinc/14/55/09/660145509.db2.gz COVWOQBPCDLDBJ-UHFFFAOYSA-N 1 3 394.335 1.689 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748950 720813827 /nfs/dbraw/zinc/81/38/27/720813827.db2.gz SBLOGQKYDMYVEZ-IPMKNSEASA-N 1 3 396.543 1.822 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748950 720813829 /nfs/dbraw/zinc/81/38/29/720813829.db2.gz SBLOGQKYDMYVEZ-IPMKNSEASA-N 1 3 396.543 1.822 20 0 GDADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574704494 949388168 /nfs/dbraw/zinc/38/81/68/949388168.db2.gz NMBBZCUFWBFZMM-ZDUSSCGKSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576192551 950252188 /nfs/dbraw/zinc/25/21/88/950252188.db2.gz NODYQCCALUPEDN-AWEZNQCLSA-N 1 3 391.545 1.597 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+](C)C ZINC001575902309 950256847 /nfs/dbraw/zinc/25/68/47/950256847.db2.gz UOZFIWCIBNJQOY-CXAGYDPISA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+](C)C ZINC001575902309 950256868 /nfs/dbraw/zinc/25/68/68/950256868.db2.gz UOZFIWCIBNJQOY-CXAGYDPISA-N 1 3 389.479 1.427 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907759 950344730 /nfs/dbraw/zinc/34/47/30/950344730.db2.gz QHBDEAZHLNXQMS-YOEHRIQHSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001575907759 950344736 /nfs/dbraw/zinc/34/47/36/950344736.db2.gz QHBDEAZHLNXQMS-YOEHRIQHSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574520913 950758326 /nfs/dbraw/zinc/75/83/26/950758326.db2.gz BBYACONFKQFYES-OLZOCXBDSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574524645 950866871 /nfs/dbraw/zinc/86/68/71/950866871.db2.gz YBDBGGBZQVBKPF-GJZGRUSLSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574524645 950866887 /nfs/dbraw/zinc/86/68/87/950866887.db2.gz YBDBGGBZQVBKPF-GJZGRUSLSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077337 951665973 /nfs/dbraw/zinc/66/59/73/951665973.db2.gz FXHVBHRLCXKQFJ-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077337 951665991 /nfs/dbraw/zinc/66/59/91/951665991.db2.gz FXHVBHRLCXKQFJ-KGLIPLIRSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575077468 951670007 /nfs/dbraw/zinc/67/00/07/951670007.db2.gz DSTKTAPJLSQCQL-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(I)c[nH]1 ZINC000115371123 530899422 /nfs/dbraw/zinc/89/94/22/530899422.db2.gz UASHVUJKDDDVER-UHFFFAOYSA-N 1 3 378.258 1.185 20 0 GDADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000627102786 531944697 /nfs/dbraw/zinc/94/46/97/531944697.db2.gz TWRNSIOTSFPYCI-SWLSCSKDSA-N 1 3 375.300 1.884 20 0 GDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422864418 532067622 /nfs/dbraw/zinc/06/76/22/532067622.db2.gz VAKDYZRFHKJQIF-VBNZEHGJSA-N 1 3 384.318 1.911 20 0 GDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423109788 532072508 /nfs/dbraw/zinc/07/25/08/532072508.db2.gz UXJLBBZZGIKJNV-JKOKRWQUSA-N 1 3 379.885 1.099 20 0 GDADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821584508 607300501 /nfs/dbraw/zinc/30/05/01/607300501.db2.gz HDSKNAQLBVYDGB-UHFFFAOYSA-N 1 3 394.911 1.261 20 0 GDADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821584508 607300502 /nfs/dbraw/zinc/30/05/02/607300502.db2.gz HDSKNAQLBVYDGB-UHFFFAOYSA-N 1 3 394.911 1.261 20 0 GDADHO CN(C)C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000529389262 649943036 /nfs/dbraw/zinc/94/30/36/649943036.db2.gz VHMSSOXWLZHWQP-BBRMVZONSA-N 1 3 388.343 1.880 20 0 GDADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1-c1nnn[n-]1 ZINC000826077149 608021345 /nfs/dbraw/zinc/02/13/45/608021345.db2.gz BIPCAFXHMGJWOL-CQSZACIVSA-N 1 3 387.492 1.087 20 0 GDADHO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1-c1nnn[n-]1 ZINC000826077149 608021346 /nfs/dbraw/zinc/02/13/46/608021346.db2.gz BIPCAFXHMGJWOL-CQSZACIVSA-N 1 3 387.492 1.087 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000516114741 648513382 /nfs/dbraw/zinc/51/33/82/648513382.db2.gz UXRIFDASNVCDCU-QWHCGFSZSA-N 1 3 386.436 1.761 20 0 GDADHO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(CC(C)(C)O)CC2)s1 ZINC000638783407 653543537 /nfs/dbraw/zinc/54/35/37/653543537.db2.gz KOYLZCDKMVNNDE-UHFFFAOYSA-N 1 3 375.560 1.160 20 0 GDADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)COc1cccc(Br)c1 ZINC000647517873 653628080 /nfs/dbraw/zinc/62/80/80/653628080.db2.gz QDPVMGKQVRUSSO-MRXNPFEDSA-N 1 3 387.318 1.625 20 0 GDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662494070 654297049 /nfs/dbraw/zinc/29/70/49/654297049.db2.gz VQXRIECLHLZYGQ-WMLDXEAASA-N 1 3 397.361 1.839 20 0 GDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000925664095 656715922 /nfs/dbraw/zinc/71/59/22/656715922.db2.gz YZOZEFMFJDEISP-MTICYGMRSA-N 1 3 375.897 1.863 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](N)c2ccc(Br)cc2)C1 ZINC000884180342 657333144 /nfs/dbraw/zinc/33/31/44/657333144.db2.gz VDFJPYXEYSGGPQ-JKSUJKDBSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](N)c2ccc(Br)cc2)C1 ZINC000884180342 657333151 /nfs/dbraw/zinc/33/31/51/657333151.db2.gz VDFJPYXEYSGGPQ-JKSUJKDBSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)N1CCC([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905029565 659417812 /nfs/dbraw/zinc/41/78/12/659417812.db2.gz YKUMMCVTPJJFGT-INIZCTEOSA-N 1 3 375.579 1.450 20 0 GDADHO COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@H]2C1 ZINC001164854276 720836739 /nfs/dbraw/zinc/83/67/39/720836739.db2.gz QYMFQYRHEQLZGB-ROUUACIJSA-N 1 3 375.517 1.559 20 0 GDADHO COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCC4)nc(C)n3)CC[C@H]2C1 ZINC001164854276 720836740 /nfs/dbraw/zinc/83/67/40/720836740.db2.gz QYMFQYRHEQLZGB-ROUUACIJSA-N 1 3 375.517 1.559 20 0 GDADHO Cn1ccc2c1ncnc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886702 721391761 /nfs/dbraw/zinc/39/17/61/721391761.db2.gz FMXUZFIABQLNPG-UWJYYQICSA-N 1 3 384.528 1.734 20 0 GDADHO c1cncc(CN2CCO[C@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980825 722103925 /nfs/dbraw/zinc/10/39/25/722103925.db2.gz KNEBZSMBGHNOEP-FPOVZHCZSA-N 1 3 379.508 1.850 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]C1CCC([NH+]3CCCCC3)CC1)C2 ZINC000823821777 946486380 /nfs/dbraw/zinc/48/63/80/946486380.db2.gz ZYTWGELZIQQTDV-QQFBHYJXSA-N 1 3 385.520 1.492 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]C1CCC([NH+]3CCCCC3)CC1)C2 ZINC000823821777 946486387 /nfs/dbraw/zinc/48/63/87/946486387.db2.gz ZYTWGELZIQQTDV-QQFBHYJXSA-N 1 3 385.520 1.492 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574715026 949637011 /nfs/dbraw/zinc/63/70/11/949637011.db2.gz AAMPUIDBINITFN-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574715026 949637022 /nfs/dbraw/zinc/63/70/22/949637022.db2.gz AAMPUIDBINITFN-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716991 949717433 /nfs/dbraw/zinc/71/74/33/949717433.db2.gz NJKMHZXWYAZDFP-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CC[NH+](C)C ZINC001575907546 950335327 /nfs/dbraw/zinc/33/53/27/950335327.db2.gz OYROBHZLFQIPES-MLGOLLRUSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576228442 950945753 /nfs/dbraw/zinc/94/57/53/950945753.db2.gz KAOXMZBQFOIYNG-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576228442 950945792 /nfs/dbraw/zinc/94/57/92/950945792.db2.gz KAOXMZBQFOIYNG-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079538 951695012 /nfs/dbraw/zinc/69/50/12/951695012.db2.gz QSWDICWOQBCHFC-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079538 951695018 /nfs/dbraw/zinc/69/50/18/951695018.db2.gz QSWDICWOQBCHFC-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090943 951765685 /nfs/dbraw/zinc/76/56/85/951765685.db2.gz LUBIALYVLSURFO-OAHLLOKOSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090943 951765688 /nfs/dbraw/zinc/76/56/88/951765688.db2.gz LUBIALYVLSURFO-OAHLLOKOSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113624 951942657 /nfs/dbraw/zinc/94/26/57/951942657.db2.gz CIJGTKVAUSKHAE-NVXWUHKLSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113624 951942661 /nfs/dbraw/zinc/94/26/61/951942661.db2.gz CIJGTKVAUSKHAE-NVXWUHKLSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113624 951942667 /nfs/dbraw/zinc/94/26/67/951942667.db2.gz CIJGTKVAUSKHAE-NVXWUHKLSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113624 951942670 /nfs/dbraw/zinc/94/26/70/951942670.db2.gz CIJGTKVAUSKHAE-NVXWUHKLSA-N 1 3 385.516 1.583 20 0 GDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173393156 530629644 /nfs/dbraw/zinc/62/96/44/530629644.db2.gz YJCHWVKUUABDTI-AWEZNQCLSA-N 1 3 399.333 1.626 20 0 GDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173393156 530629645 /nfs/dbraw/zinc/62/96/45/530629645.db2.gz YJCHWVKUUABDTI-AWEZNQCLSA-N 1 3 399.333 1.626 20 0 GDADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000638664851 531664799 /nfs/dbraw/zinc/66/47/99/531664799.db2.gz WJCJQHCSSDEFCK-ZBFHGGJFSA-N 1 3 389.327 1.812 20 0 GDADHO Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000297579950 531802829 /nfs/dbraw/zinc/80/28/29/531802829.db2.gz IKOVILMULGCCOA-UHFFFAOYSA-N 1 3 380.539 1.988 20 0 GDADHO C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273301794 532143726 /nfs/dbraw/zinc/14/37/26/532143726.db2.gz UYZOADZQZUNDDJ-JPMUSVJPSA-N 1 3 389.587 1.334 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000428232949 532200881 /nfs/dbraw/zinc/20/08/81/532200881.db2.gz PNXBJEHCYKWHIU-ZIAGYGMSSA-N 1 3 399.333 1.176 20 0 GDADHO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000736768945 598763955 /nfs/dbraw/zinc/76/39/55/598763955.db2.gz KEVBGBJTIDXHPN-UHFFFAOYSA-N 1 3 396.499 1.009 20 0 GDADHO CC1CC[NH+](C2CCC([NH2+]C[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)CC2)CC1 ZINC000824957648 607753739 /nfs/dbraw/zinc/75/37/39/607753739.db2.gz YPUMRTCZQSKZBZ-GTPINHCMSA-N 1 3 399.547 1.738 20 0 GDADHO CC1CC[NH+](C2CCC([NH2+]C[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)CC2)CC1 ZINC000824957648 607753740 /nfs/dbraw/zinc/75/37/40/607753740.db2.gz YPUMRTCZQSKZBZ-GTPINHCMSA-N 1 3 399.547 1.738 20 0 GDADHO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1-c1nnn[n-]1 ZINC000826083811 608021044 /nfs/dbraw/zinc/02/10/44/608021044.db2.gz RJXOLRHOSFXHGH-UHFFFAOYSA-N 1 3 383.460 1.056 20 0 GDADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000155313933 644811189 /nfs/dbraw/zinc/81/11/89/644811189.db2.gz YIRMXVYAEOYIKF-UHFFFAOYSA-N 1 3 376.504 1.303 20 0 GDADHO CN(CC1CN(C)C1)c1ncnc(N(C)CC2C[NH+](C)C2)c1Br ZINC000664328996 654374916 /nfs/dbraw/zinc/37/49/16/654374916.db2.gz IHHGTJLLVRNMNT-UHFFFAOYSA-N 1 3 383.338 1.235 20 0 GDADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000685326263 654817142 /nfs/dbraw/zinc/81/71/42/654817142.db2.gz VPCVAXMDDROEKN-KBPBESRZSA-N 1 3 389.949 1.966 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCn1cc(Br)cn1 ZINC000854059026 655656656 /nfs/dbraw/zinc/65/66/56/655656656.db2.gz FIHKIOXUTGHXKE-ZDUSSCGKSA-N 1 3 389.342 1.217 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCn1cc(Br)cn1 ZINC000854059026 655656654 /nfs/dbraw/zinc/65/66/54/655656654.db2.gz FIHKIOXUTGHXKE-ZDUSSCGKSA-N 1 3 389.342 1.217 20 0 GDADHO C[N@H+](Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745851 720775296 /nfs/dbraw/zinc/77/52/96/720775296.db2.gz WARLYKWSZOXCKI-OALUTQOASA-N 1 3 380.496 1.808 20 0 GDADHO C[N@@H+](Cc1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745851 720775304 /nfs/dbraw/zinc/77/53/04/720775304.db2.gz WARLYKWSZOXCKI-OALUTQOASA-N 1 3 380.496 1.808 20 0 GDADHO CCN(C)c1cc(C)[nH+]c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164795295 721508103 /nfs/dbraw/zinc/50/81/03/721508103.db2.gz KEFYPKKWXJGCAC-UHFFFAOYSA-N 1 3 384.532 1.205 20 0 GDADHO c1cncc(CN2CCO[C@@H]3CN(c4ccc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980827 722103807 /nfs/dbraw/zinc/10/38/07/722103807.db2.gz KNEBZSMBGHNOEP-TZIWHRDSSA-N 1 3 379.508 1.850 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918634 948854850 /nfs/dbraw/zinc/85/48/50/948854850.db2.gz PFCWKAAWGSYIAE-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918634 948854874 /nfs/dbraw/zinc/85/48/74/948854874.db2.gz PFCWKAAWGSYIAE-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574919174 948866985 /nfs/dbraw/zinc/86/69/85/948866985.db2.gz VPBLTLYPFHKVDH-MRXNPFEDSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574919174 948867006 /nfs/dbraw/zinc/86/70/06/948867006.db2.gz VPBLTLYPFHKVDH-MRXNPFEDSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576180097 949939423 /nfs/dbraw/zinc/93/94/23/949939423.db2.gz BXTQEOPXOJVZEJ-WBVHZDCISA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576180097 949939441 /nfs/dbraw/zinc/93/94/41/949939441.db2.gz BXTQEOPXOJVZEJ-WBVHZDCISA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576181430 950008579 /nfs/dbraw/zinc/00/85/79/950008579.db2.gz IFKNMGWPBGPXDZ-QAPCUYQASA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576181430 950008597 /nfs/dbraw/zinc/00/85/97/950008597.db2.gz IFKNMGWPBGPXDZ-QAPCUYQASA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575905792 950305168 /nfs/dbraw/zinc/30/51/68/950305168.db2.gz FMZSIWMQTXRZEG-TZMCWYRMSA-N 1 3 375.502 1.103 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574522585 950797426 /nfs/dbraw/zinc/79/74/26/950797426.db2.gz KZKDPWCKJWPKLJ-HUUCEWRRSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574522585 950797443 /nfs/dbraw/zinc/79/74/43/950797443.db2.gz KZKDPWCKJWPKLJ-HUUCEWRRSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575077398 951667846 /nfs/dbraw/zinc/66/78/46/951667846.db2.gz CJEVLRJCSBNNQC-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575077398 951667854 /nfs/dbraw/zinc/66/78/54/951667854.db2.gz CJEVLRJCSBNNQC-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089112 951746212 /nfs/dbraw/zinc/74/62/12/951746212.db2.gz DMEDKNVHJQQPSS-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089112 951746216 /nfs/dbraw/zinc/74/62/16/951746216.db2.gz DMEDKNVHJQQPSS-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091915 951787886 /nfs/dbraw/zinc/78/78/86/951787886.db2.gz YRCJUGZUMVDNMH-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091915 951787890 /nfs/dbraw/zinc/78/78/90/951787890.db2.gz YRCJUGZUMVDNMH-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113838 951946676 /nfs/dbraw/zinc/94/66/76/951946676.db2.gz GXCNPPWGBMCSMB-RDTXWAMCSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113838 951946686 /nfs/dbraw/zinc/94/66/86/951946686.db2.gz GXCNPPWGBMCSMB-RDTXWAMCSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113836 951947965 /nfs/dbraw/zinc/94/79/65/951947965.db2.gz GXCNPPWGBMCSMB-KDOFPFPSSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113836 951947972 /nfs/dbraw/zinc/94/79/72/951947972.db2.gz GXCNPPWGBMCSMB-KDOFPFPSSA-N 1 3 383.500 1.050 20 0 GDADHO Cc1c(Cl)cnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1-c1nnn[n-]1 ZINC001571141927 952637191 /nfs/dbraw/zinc/63/71/91/952637191.db2.gz KTUUPSGBBWBTMB-CHWSQXEVSA-N 1 3 378.912 1.399 20 0 GDADHO Cc1c(Cl)cnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1-c1nn[n-]n1 ZINC001571141927 952637193 /nfs/dbraw/zinc/63/71/93/952637193.db2.gz KTUUPSGBBWBTMB-CHWSQXEVSA-N 1 3 378.912 1.399 20 0 GDADHO CSc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000130585702 531062049 /nfs/dbraw/zinc/06/20/49/531062049.db2.gz YDPRHQDYHYILSJ-UHFFFAOYSA-N 1 3 386.949 1.952 20 0 GDADHO CCOC(=O)C1([C@H](C)NCc2ccc(S(=O)(=O)CC)s2)CC[NH2+]CC1 ZINC000423087944 532070969 /nfs/dbraw/zinc/07/09/69/532070969.db2.gz QPQTZDMOEBHEOF-ZDUSSCGKSA-N 1 3 388.555 1.953 20 0 GDADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423203112 532073955 /nfs/dbraw/zinc/07/39/55/532073955.db2.gz LZLGZHZGABSXEH-NSHDSACASA-N 1 3 377.245 1.986 20 0 GDADHO CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736530826 598522956 /nfs/dbraw/zinc/52/29/56/598522956.db2.gz NDPOTAYUOQNZRC-QGZVFWFLSA-N 1 3 395.515 1.737 20 0 GDADHO CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736530826 598522957 /nfs/dbraw/zinc/52/29/57/598522957.db2.gz NDPOTAYUOQNZRC-QGZVFWFLSA-N 1 3 395.515 1.737 20 0 GDADHO C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000627489522 653075798 /nfs/dbraw/zinc/07/57/98/653075798.db2.gz DRMPTKYUCIXLBZ-NHYWBVRUSA-N 1 3 387.311 1.533 20 0 GDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000662458394 654294057 /nfs/dbraw/zinc/29/40/57/654294057.db2.gz UWDYCNBROQBZJQ-GUYCJALGSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000662458394 654294063 /nfs/dbraw/zinc/29/40/63/654294063.db2.gz UWDYCNBROQBZJQ-GUYCJALGSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H](N)c3ccccc3Br)C2)CC1 ZINC000662458394 654294069 /nfs/dbraw/zinc/29/40/69/654294069.db2.gz UWDYCNBROQBZJQ-GUYCJALGSA-N 1 3 395.345 1.734 20 0 GDADHO CN(C)CCC[N@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000664248465 654370640 /nfs/dbraw/zinc/37/06/40/654370640.db2.gz XSBNLOWVTBAGOX-UHFFFAOYSA-N 1 3 382.452 1.648 20 0 GDADHO CN(C)CCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000664248465 654370645 /nfs/dbraw/zinc/37/06/45/654370645.db2.gz XSBNLOWVTBAGOX-UHFFFAOYSA-N 1 3 382.452 1.648 20 0 GDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819004294 655383018 /nfs/dbraw/zinc/38/30/18/655383018.db2.gz NCCSFYZCDJKYAO-XJKSGUPXSA-N 1 3 384.318 1.660 20 0 GDADHO C[C@H]1C[C@@H](CN2CCC(n3nncc3I)CC2)CC[NH2+]1 ZINC000849352911 655522477 /nfs/dbraw/zinc/52/24/77/655522477.db2.gz SFKYPWQRUITBQG-RYUDHWBXSA-N 1 3 389.285 1.908 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2COc3cccc(Br)c3C2)C1 ZINC000873223191 656389740 /nfs/dbraw/zinc/38/97/40/656389740.db2.gz LNZBFNXYOGROJT-OLZOCXBDSA-N 1 3 382.302 1.540 20 0 GDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221146 657335938 /nfs/dbraw/zinc/33/59/38/657335938.db2.gz KTZFIDQTAPPAON-NVXWUHKLSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221146 657335946 /nfs/dbraw/zinc/33/59/46/657335946.db2.gz KTZFIDQTAPPAON-NVXWUHKLSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221146 657335954 /nfs/dbraw/zinc/33/59/54/657335954.db2.gz KTZFIDQTAPPAON-NVXWUHKLSA-N 1 3 395.345 1.734 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nn2c(c1Br)CCC2 ZINC000898584607 658940596 /nfs/dbraw/zinc/94/05/96/658940596.db2.gz HFZNPNDSSPLQIB-LBPRGKRZSA-N 1 3 386.338 1.594 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nn2c(c1Br)CCC2 ZINC000898584607 658940597 /nfs/dbraw/zinc/94/05/97/658940597.db2.gz HFZNPNDSSPLQIB-LBPRGKRZSA-N 1 3 386.338 1.594 20 0 GDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)C1 ZINC000905152829 659427283 /nfs/dbraw/zinc/42/72/83/659427283.db2.gz CDJLVEACTAFKOK-OAGGEKHMSA-N 1 3 375.579 1.450 20 0 GDADHO CC(C)N(C)Cc1nn(-c2cccc(N3CCN(C)CC3)n2)c2c1CC[NH2+]C2 ZINC001164681650 719630371 /nfs/dbraw/zinc/63/03/71/719630371.db2.gz KKOYAHPVIFZSGR-UHFFFAOYSA-N 1 3 383.544 1.505 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CCNC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164742090 720816870 /nfs/dbraw/zinc/81/68/70/720816870.db2.gz PTCRASUOCGQBKZ-IMFGXOCKSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4ncc5c(n4)CCNC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164742090 720816872 /nfs/dbraw/zinc/81/68/72/720816872.db2.gz PTCRASUOCGQBKZ-IMFGXOCKSA-N 1 3 394.527 1.093 20 0 GDADHO Cn1ccc2c1ncnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886695 721390304 /nfs/dbraw/zinc/39/03/04/721390304.db2.gz FMXUZFIABQLNPG-DYESRHJHSA-N 1 3 384.528 1.734 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574918367 948846575 /nfs/dbraw/zinc/84/65/75/948846575.db2.gz JYIUXWQHGKUVOZ-INIZCTEOSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574918367 948846591 /nfs/dbraw/zinc/84/65/91/948846591.db2.gz JYIUXWQHGKUVOZ-INIZCTEOSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918531 948850601 /nfs/dbraw/zinc/85/06/01/948850601.db2.gz MTQSNQNVGVARLD-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574918531 948850614 /nfs/dbraw/zinc/85/06/14/948850614.db2.gz MTQSNQNVGVARLD-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918531 948850630 /nfs/dbraw/zinc/85/06/30/948850630.db2.gz MTQSNQNVGVARLD-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001574918531 948850645 /nfs/dbraw/zinc/85/06/45/948850645.db2.gz MTQSNQNVGVARLD-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715444 949651032 /nfs/dbraw/zinc/65/10/32/949651032.db2.gz CPKCUPONUMTGMW-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715444 949651042 /nfs/dbraw/zinc/65/10/42/949651042.db2.gz CPKCUPONUMTGMW-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715444 949651055 /nfs/dbraw/zinc/65/10/55/949651055.db2.gz CPKCUPONUMTGMW-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715444 949651067 /nfs/dbraw/zinc/65/10/67/949651067.db2.gz CPKCUPONUMTGMW-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574740260 950226256 /nfs/dbraw/zinc/22/62/56/950226256.db2.gz CYUYQZWTSFCYLO-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574740260 950226272 /nfs/dbraw/zinc/22/62/72/950226272.db2.gz CYUYQZWTSFCYLO-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574740260 950226290 /nfs/dbraw/zinc/22/62/90/950226290.db2.gz CYUYQZWTSFCYLO-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574740260 950226308 /nfs/dbraw/zinc/22/63/08/950226308.db2.gz CYUYQZWTSFCYLO-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574524198 950852066 /nfs/dbraw/zinc/85/20/66/950852066.db2.gz UVYQACIQUTXXKZ-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574524198 950852084 /nfs/dbraw/zinc/85/20/84/950852084.db2.gz UVYQACIQUTXXKZ-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101540 951861677 /nfs/dbraw/zinc/86/16/77/951861677.db2.gz GYNPWSJQLTVRPK-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101540 951861680 /nfs/dbraw/zinc/86/16/80/951861680.db2.gz GYNPWSJQLTVRPK-CYBMUJFWSA-N 1 3 389.479 1.190 20 0 GDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115128 951962158 /nfs/dbraw/zinc/96/21/58/951962158.db2.gz UXDFTZRMYZKHQO-YJBOKZPZSA-N 1 3 385.516 1.581 20 0 GDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115128 951962166 /nfs/dbraw/zinc/96/21/66/951962166.db2.gz UXDFTZRMYZKHQO-YJBOKZPZSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCNS(=O)(=O)c1ccccc1Br ZINC000423100529 646113874 /nfs/dbraw/zinc/11/38/74/646113874.db2.gz GZWZNVLTAGTRHV-JSGCOSHPSA-N 1 3 390.347 1.705 20 0 GDADHO CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)s1 ZINC000578986446 651829912 /nfs/dbraw/zinc/82/99/12/651829912.db2.gz XJVPIUXOJSKOOU-ZDUSSCGKSA-N 1 3 388.965 1.921 20 0 GDADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000685326265 654817225 /nfs/dbraw/zinc/81/72/25/654817225.db2.gz VPCVAXMDDROEKN-ZIAGYGMSSA-N 1 3 389.949 1.966 20 0 GDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819004258 655383061 /nfs/dbraw/zinc/38/30/61/655383061.db2.gz LXXQVAMMKKHZPD-GDBMZVCRSA-N 1 3 384.318 1.660 20 0 GDADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1Br ZINC000855347079 655692417 /nfs/dbraw/zinc/69/24/17/655692417.db2.gz SFKGTAJLBSKGKU-LBPRGKRZSA-N 1 3 387.322 1.855 20 0 GDADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1Br ZINC000855347079 655692418 /nfs/dbraw/zinc/69/24/18/655692418.db2.gz SFKGTAJLBSKGKU-LBPRGKRZSA-N 1 3 387.322 1.855 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ncc(Br)s1 ZINC000875713825 656555693 /nfs/dbraw/zinc/55/56/93/656555693.db2.gz PUTFOHVIRZFQMF-NSHDSACASA-N 1 3 392.367 1.977 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ncc(Br)s1 ZINC000875713825 656555724 /nfs/dbraw/zinc/55/57/24/656555724.db2.gz PUTFOHVIRZFQMF-NSHDSACASA-N 1 3 392.367 1.977 20 0 GDADHO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3c(nn2)CCNC3)CC1 ZINC001164834345 720328155 /nfs/dbraw/zinc/32/81/55/720328155.db2.gz ZMSQGRVQOUPCFZ-RBUKOAKNSA-N 1 3 384.528 1.034 20 0 GDADHO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164894072 721388931 /nfs/dbraw/zinc/38/89/31/721388931.db2.gz XEALEZJJZGANTF-SIKLNZKXSA-N 1 3 385.556 1.493 20 0 GDADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164899166 721510414 /nfs/dbraw/zinc/51/04/14/721510414.db2.gz KPIYWRIOWOAXGZ-FUHWJXTLSA-N 1 3 383.471 1.646 20 0 GDADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574918200 948835395 /nfs/dbraw/zinc/83/53/95/948835395.db2.gz HEMJDBXRKONVEL-AWEZNQCLSA-N 1 3 389.479 1.476 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906936 950322728 /nfs/dbraw/zinc/32/27/28/950322728.db2.gz KZQYREHUJOACPQ-BLLLJJGKSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906936 950322746 /nfs/dbraw/zinc/32/27/46/950322746.db2.gz KZQYREHUJOACPQ-BLLLJJGKSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001575908243 950356705 /nfs/dbraw/zinc/35/67/05/950356705.db2.gz SYPSOIUXUNTDSB-SUMWQHHRSA-N 1 3 389.479 1.427 20 0 GDADHO C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575077469 951668976 /nfs/dbraw/zinc/66/89/76/951668976.db2.gz DSTKTAPJLSQCQL-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO CCS(=O)(=O)c1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000526917962 531309289 /nfs/dbraw/zinc/30/92/89/531309289.db2.gz RSISGYCAEZQAQU-UHFFFAOYSA-N 1 3 390.575 1.177 20 0 GDADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000414756440 531462299 /nfs/dbraw/zinc/46/22/99/531462299.db2.gz QVJSWIMZTVUJIJ-GFCCVEGCSA-N 1 3 390.347 1.502 20 0 GDADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000414756440 531462304 /nfs/dbraw/zinc/46/23/04/531462304.db2.gz QVJSWIMZTVUJIJ-GFCCVEGCSA-N 1 3 390.347 1.502 20 0 GDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)COc1ccc(I)cc1 ZINC000422911070 532069783 /nfs/dbraw/zinc/06/97/83/532069783.db2.gz SCMMWKRBHVJSOP-LNSITVRQSA-N 1 3 390.265 1.748 20 0 GDADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000515063314 648478698 /nfs/dbraw/zinc/47/86/98/648478698.db2.gz RVZQWLOROYIHHN-HUUCEWRRSA-N 1 3 386.327 1.897 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(Br)cn1 ZINC000633613741 653458220 /nfs/dbraw/zinc/45/82/20/653458220.db2.gz DWXNYEGIYZENBJ-ZDUSSCGKSA-N 1 3 387.322 1.611 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(Br)cn1 ZINC000633613741 653458222 /nfs/dbraw/zinc/45/82/22/653458222.db2.gz DWXNYEGIYZENBJ-ZDUSSCGKSA-N 1 3 387.322 1.611 20 0 GDADHO CC(C)(O)C[NH+]1CCC(NCCNC(=O)c2ccc(Br)cn2)CC1 ZINC000639305922 653549714 /nfs/dbraw/zinc/54/97/14/653549714.db2.gz XXSIDFPXNHAAJV-UHFFFAOYSA-N 1 3 399.333 1.399 20 0 GDADHO CC(C)[C@H](CNC(=O)[C@@H](N)c1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000662479409 654295812 /nfs/dbraw/zinc/29/58/12/654295812.db2.gz HWFNXUFDAZWCMB-IRXDYDNUSA-N 1 3 397.361 1.837 20 0 GDADHO [NH3+]CC1(O)CCN(C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923383353 656547927 /nfs/dbraw/zinc/54/79/27/656547927.db2.gz ZNNLVQDECTWKJQ-LBPRGKRZSA-N 1 3 393.709 1.628 20 0 GDADHO Cn1nc(Br)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000879643300 656815222 /nfs/dbraw/zinc/81/52/22/656815222.db2.gz GVGNMCFCKRTELE-UHFFFAOYSA-N 1 3 399.337 1.863 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)CCNC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164742093 720816963 /nfs/dbraw/zinc/81/69/63/720816963.db2.gz PTCRASUOCGQBKZ-XKGZKEIXSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4ncc5c(n4)CCNC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164742093 720816964 /nfs/dbraw/zinc/81/69/64/720816964.db2.gz PTCRASUOCGQBKZ-XKGZKEIXSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CCNC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164741332 720837954 /nfs/dbraw/zinc/83/79/54/720837954.db2.gz FCQISMPGRQLGID-HBFSDRIKSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CCNC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164741332 720837958 /nfs/dbraw/zinc/83/79/58/720837958.db2.gz FCQISMPGRQLGID-HBFSDRIKSA-N 1 3 394.527 1.093 20 0 GDADHO c1cncc(CO[C@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164867670 721117884 /nfs/dbraw/zinc/11/78/84/721117884.db2.gz ZNFJPIVPMNZJHZ-PMACEKPBSA-N 1 3 394.523 1.818 20 0 GDADHO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C[NH+](C)C)ccn4)C3)O2)CC1 ZINC001164888690 721443034 /nfs/dbraw/zinc/44/30/34/721443034.db2.gz AKMXLGDSLCMLNL-IFMALSPDSA-N 1 3 387.572 1.909 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524383 950857597 /nfs/dbraw/zinc/85/75/97/950857597.db2.gz WBCVBYJIZAGJRP-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001574524383 950857628 /nfs/dbraw/zinc/85/76/28/950857628.db2.gz WBCVBYJIZAGJRP-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077339 951666641 /nfs/dbraw/zinc/66/66/41/951666641.db2.gz FXHVBHRLCXKQFJ-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575077339 951666645 /nfs/dbraw/zinc/66/66/45/951666645.db2.gz FXHVBHRLCXKQFJ-ZIAGYGMSSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079910 951699546 /nfs/dbraw/zinc/69/95/46/951699546.db2.gz STYUODKUDNBUCR-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079910 951699548 /nfs/dbraw/zinc/69/95/48/951699548.db2.gz STYUODKUDNBUCR-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079910 951699552 /nfs/dbraw/zinc/69/95/52/951699552.db2.gz STYUODKUDNBUCR-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079910 951699555 /nfs/dbraw/zinc/69/95/55/951699555.db2.gz STYUODKUDNBUCR-UONOGXRCSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)CCC[NH+](C)C ZINC001575080520 951713240 /nfs/dbraw/zinc/71/32/40/951713240.db2.gz XNUIBHLDKNEVQM-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575091646 951779768 /nfs/dbraw/zinc/77/97/68/951779768.db2.gz TUMZPBIJUJNCTO-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575091646 951779775 /nfs/dbraw/zinc/77/97/75/951779775.db2.gz TUMZPBIJUJNCTO-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168924569 530585545 /nfs/dbraw/zinc/58/55/45/530585545.db2.gz HPRZBRVEZJPGFG-HNNXBMFYSA-N 1 3 388.354 1.014 20 0 GDADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(Br)c1 ZINC000130565852 531062069 /nfs/dbraw/zinc/06/20/69/531062069.db2.gz HOSNBQOHTJGJOE-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2cc(F)cc(Br)c2)C1 ZINC000262126574 531109274 /nfs/dbraw/zinc/10/92/74/531109274.db2.gz NEMXDLRYDHVOAG-LBPRGKRZSA-N 1 3 388.281 1.754 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nn(C)cc1Br ZINC000665023576 531732374 /nfs/dbraw/zinc/73/23/74/531732374.db2.gz KZCCRGFQYZZNCR-LBPRGKRZSA-N 1 3 389.342 1.254 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nn(C)cc1Br ZINC000665023576 531732378 /nfs/dbraw/zinc/73/23/78/531732378.db2.gz KZCCRGFQYZZNCR-LBPRGKRZSA-N 1 3 389.342 1.254 20 0 GDADHO CN1CCN(C[C@H](O)CNCc2cc(Br)cc3c2OCC3)CC1 ZINC000563010933 531797702 /nfs/dbraw/zinc/79/77/02/531797702.db2.gz CQGHIEXAPDKZBK-MRXNPFEDSA-N 1 3 384.318 1.082 20 0 GDADHO CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736510229 598531072 /nfs/dbraw/zinc/53/10/72/598531072.db2.gz SHEWDYLQJAQXBE-MRXNPFEDSA-N 1 3 381.488 1.346 20 0 GDADHO CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736510229 598531074 /nfs/dbraw/zinc/53/10/74/598531074.db2.gz SHEWDYLQJAQXBE-MRXNPFEDSA-N 1 3 381.488 1.346 20 0 GDADHO CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736510229 598531075 /nfs/dbraw/zinc/53/10/75/598531075.db2.gz SHEWDYLQJAQXBE-MRXNPFEDSA-N 1 3 381.488 1.346 20 0 GDADHO CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736510229 598531076 /nfs/dbraw/zinc/53/10/76/598531076.db2.gz SHEWDYLQJAQXBE-MRXNPFEDSA-N 1 3 381.488 1.346 20 0 GDADHO CN(CCCNCc1ncc(I)s1)CC[NH+](C)C ZINC000598918413 652475334 /nfs/dbraw/zinc/47/53/34/652475334.db2.gz BCFJKJQZDFUFMZ-UHFFFAOYSA-N 1 3 382.315 1.721 20 0 GDADHO O=S(=O)([N-]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1F ZINC000647796526 653634663 /nfs/dbraw/zinc/63/46/63/653634663.db2.gz COFKYZDCXNPRGZ-SGMGOOAPSA-N 1 3 375.897 1.735 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000839529050 655251610 /nfs/dbraw/zinc/25/16/10/655251610.db2.gz WXWGNCIFCHPHME-UHFFFAOYSA-N 1 3 390.315 1.466 20 0 GDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819004851 655383005 /nfs/dbraw/zinc/38/30/05/655383005.db2.gz UGEAXHYHWXBTTG-GOEBONIOSA-N 1 3 384.318 1.660 20 0 GDADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](N)c2cccc(Br)c2)CC1 ZINC000870865886 656251099 /nfs/dbraw/zinc/25/10/99/656251099.db2.gz MRSPUIBVXZHUTH-INIZCTEOSA-N 1 3 383.334 1.593 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164748949 720813804 /nfs/dbraw/zinc/81/38/04/720813804.db2.gz SBLOGQKYDMYVEZ-GUDVDZBRSA-N 1 3 396.543 1.822 20 0 GDADHO Cc1nc(N(C)C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164748949 720813807 /nfs/dbraw/zinc/81/38/07/720813807.db2.gz SBLOGQKYDMYVEZ-GUDVDZBRSA-N 1 3 396.543 1.822 20 0 GDADHO c1cncc(CN2CCO[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@@H]3C2)c1 ZINC001164980766 722105183 /nfs/dbraw/zinc/10/51/83/722105183.db2.gz KHUHQTTYNKDADR-YLJYHZDGSA-N 1 3 380.496 1.245 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574918179 948835435 /nfs/dbraw/zinc/83/54/35/948835435.db2.gz GWALFOPQTJEIJI-CQSZACIVSA-N 1 3 389.479 1.476 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574918179 948835457 /nfs/dbraw/zinc/83/54/57/948835457.db2.gz GWALFOPQTJEIJI-CQSZACIVSA-N 1 3 389.479 1.476 20 0 GDADHO CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573765941 948930226 /nfs/dbraw/zinc/93/02/26/948930226.db2.gz QVYGBFHPQLTMKP-MRXNPFEDSA-N 1 3 383.500 1.432 20 0 GDADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574701847 949274551 /nfs/dbraw/zinc/27/45/51/949274551.db2.gz FPYUARRBDLBEET-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718463 949783718 /nfs/dbraw/zinc/78/37/18/949783718.db2.gz XOQONDQFMYWCGG-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718463 949783731 /nfs/dbraw/zinc/78/37/31/949783731.db2.gz XOQONDQFMYWCGG-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574522217 950795294 /nfs/dbraw/zinc/79/52/94/950795294.db2.gz JODBBKZVMLNERP-OLZOCXBDSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574522217 950795313 /nfs/dbraw/zinc/79/53/13/950795313.db2.gz JODBBKZVMLNERP-OLZOCXBDSA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574524646 950865460 /nfs/dbraw/zinc/86/54/60/950865460.db2.gz YBDBGGBZQVBKPF-HUUCEWRRSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574524646 950865476 /nfs/dbraw/zinc/86/54/76/950865476.db2.gz YBDBGGBZQVBKPF-HUUCEWRRSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104129 951881287 /nfs/dbraw/zinc/88/12/87/951881287.db2.gz BPCGEFNMXFDMIL-KDOFPFPSSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104129 951881293 /nfs/dbraw/zinc/88/12/93/951881293.db2.gz BPCGEFNMXFDMIL-KDOFPFPSSA-N 1 3 383.500 1.050 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234667 953204767 /nfs/dbraw/zinc/20/47/67/953204767.db2.gz FQUAIDPTJWWGAU-AEFFLSMTSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571234667 953204772 /nfs/dbraw/zinc/20/47/72/953204772.db2.gz FQUAIDPTJWWGAU-AEFFLSMTSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234667 953204775 /nfs/dbraw/zinc/20/47/75/953204775.db2.gz FQUAIDPTJWWGAU-AEFFLSMTSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571234667 953204779 /nfs/dbraw/zinc/20/47/79/953204779.db2.gz FQUAIDPTJWWGAU-AEFFLSMTSA-N 1 3 383.500 1.147 20 0 GDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571235215 953210376 /nfs/dbraw/zinc/21/03/76/953210376.db2.gz XITKBYLOANCMJW-FAEJEUNOSA-N 1 3 383.500 1.288 20 0 GDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571235215 953210381 /nfs/dbraw/zinc/21/03/81/953210381.db2.gz XITKBYLOANCMJW-FAEJEUNOSA-N 1 3 383.500 1.288 20 0 GDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571235215 953210384 /nfs/dbraw/zinc/21/03/84/953210384.db2.gz XITKBYLOANCMJW-FAEJEUNOSA-N 1 3 383.500 1.288 20 0 GDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571235215 953210386 /nfs/dbraw/zinc/21/03/86/953210386.db2.gz XITKBYLOANCMJW-FAEJEUNOSA-N 1 3 383.500 1.288 20 0 GDADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC001550424022 1126206865 /nfs/dbraw/zinc/20/68/65/1126206865.db2.gz WWLMJSKGUUCQOJ-GNBUJSLZSA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC001550424022 1126206866 /nfs/dbraw/zinc/20/68/66/1126206866.db2.gz WWLMJSKGUUCQOJ-GNBUJSLZSA-N 1 3 394.585 1.939 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000451372652 531600508 /nfs/dbraw/zinc/60/05/08/531600508.db2.gz YAMKIAVBOJWJBP-ZDUSSCGKSA-N 1 3 388.452 1.864 20 0 GDADHO [NH3+]CCNC(=O)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000419829550 531975654 /nfs/dbraw/zinc/97/56/54/531975654.db2.gz DQDPGVIONAOHOE-UHFFFAOYSA-N 1 3 387.311 1.493 20 0 GDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)COc1ccc(I)cc1 ZINC000422910323 532069385 /nfs/dbraw/zinc/06/93/85/532069385.db2.gz QISPOAZMKDZDEP-GVXVVHGQSA-N 1 3 378.254 1.746 20 0 GDADHO CSC1(CNCc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC[NH+](C)CC1 ZINC000576197113 651642761 /nfs/dbraw/zinc/64/27/61/651642761.db2.gz VIYBGYYQQACZSY-MRXNPFEDSA-N 1 3 386.587 1.334 20 0 GDADHO CN(C[C@H](O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000581939196 651980362 /nfs/dbraw/zinc/98/03/62/651980362.db2.gz PKULOWICULENHB-QGZVFWFLSA-N 1 3 398.345 1.830 20 0 GDADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602551368 652640865 /nfs/dbraw/zinc/64/08/65/652640865.db2.gz IQTCEICFSRKWRD-ZIAGYGMSSA-N 1 3 376.284 1.993 20 0 GDADHO Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Br ZINC000640169668 653556688 /nfs/dbraw/zinc/55/66/88/653556688.db2.gz MTLKREOFFAAXPT-NSHDSACASA-N 1 3 389.342 1.885 20 0 GDADHO Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Br ZINC000640169668 653556689 /nfs/dbraw/zinc/55/66/89/653556689.db2.gz MTLKREOFFAAXPT-NSHDSACASA-N 1 3 389.342 1.885 20 0 GDADHO Brc1ncn(CCN2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000851911382 655603935 /nfs/dbraw/zinc/60/39/35/655603935.db2.gz BBTIWFHVVBMTJR-UHFFFAOYSA-N 1 3 386.338 1.865 20 0 GDADHO COCCCS(=O)(=O)NCCN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156053 656318815 /nfs/dbraw/zinc/31/88/15/656318815.db2.gz DFWVLFZEJNVRBB-SJLPKXTDSA-N 1 3 375.579 1.562 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)nc1Br ZINC000880065477 656864270 /nfs/dbraw/zinc/86/42/70/656864270.db2.gz VSZWDNQMSIITHQ-NSHDSACASA-N 1 3 375.315 1.576 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)nc1Br ZINC000880065477 656864274 /nfs/dbraw/zinc/86/42/74/656864274.db2.gz VSZWDNQMSIITHQ-NSHDSACASA-N 1 3 375.315 1.576 20 0 GDADHO C[N@H+](Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745852 720774672 /nfs/dbraw/zinc/77/46/72/720774672.db2.gz WARLYKWSZOXCKI-RBUKOAKNSA-N 1 3 380.496 1.808 20 0 GDADHO C[N@@H+](Cc1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164745852 720774680 /nfs/dbraw/zinc/77/46/80/720774680.db2.gz WARLYKWSZOXCKI-RBUKOAKNSA-N 1 3 380.496 1.808 20 0 GDADHO c1cncc(CO[C@@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164867672 721119741 /nfs/dbraw/zinc/11/97/41/721119741.db2.gz ZNFJPIVPMNZJHZ-VQTJNVASSA-N 1 3 394.523 1.818 20 0 GDADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(CN)ncn1)CC2 ZINC001164789444 721455716 /nfs/dbraw/zinc/45/57/16/721455716.db2.gz WHKMNKLKIYWTCU-IBGZPJMESA-N 1 3 389.544 1.669 20 0 GDADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(CN)ncn1)CC2 ZINC001164789444 721455717 /nfs/dbraw/zinc/45/57/17/721455717.db2.gz WHKMNKLKIYWTCU-IBGZPJMESA-N 1 3 389.544 1.669 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576169220 949670669 /nfs/dbraw/zinc/67/06/69/949670669.db2.gz FVDCHOHFLUHDLY-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576169220 949670687 /nfs/dbraw/zinc/67/06/87/949670687.db2.gz FVDCHOHFLUHDLY-QAPCUYQASA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574524196 950850226 /nfs/dbraw/zinc/85/02/26/950850226.db2.gz UVYQACIQUTXXKZ-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574524196 950850245 /nfs/dbraw/zinc/85/02/45/950850245.db2.gz UVYQACIQUTXXKZ-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575109259 951929490 /nfs/dbraw/zinc/92/94/90/951929490.db2.gz QMDRJURMQLCOAX-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001575109259 951929496 /nfs/dbraw/zinc/92/94/96/951929496.db2.gz QMDRJURMQLCOAX-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(N4CCOCC4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424025 1126207197 /nfs/dbraw/zinc/20/71/97/1126207197.db2.gz WWLMJSKGUUCQOJ-RMJJICAUSA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(N4CCOCC4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424025 1126207198 /nfs/dbraw/zinc/20/71/98/1126207198.db2.gz WWLMJSKGUUCQOJ-RMJJICAUSA-N 1 3 394.585 1.939 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(I)cc1 ZINC000103211629 530833385 /nfs/dbraw/zinc/83/33/85/530833385.db2.gz MKQCMLNRIVCDMA-UHFFFAOYSA-N 1 3 389.281 1.857 20 0 GDADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](CO)c1cccc(Br)c1 ZINC000414715616 531462764 /nfs/dbraw/zinc/46/27/64/531462764.db2.gz YWIGRZHXXIWIIM-BBRMVZONSA-N 1 3 384.318 1.612 20 0 GDADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](CO)c1cccc(Br)c1 ZINC000414715616 531462766 /nfs/dbraw/zinc/46/27/66/531462766.db2.gz YWIGRZHXXIWIIM-BBRMVZONSA-N 1 3 384.318 1.612 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCN(C)CC1 ZINC000428236241 532200950 /nfs/dbraw/zinc/20/09/50/532200950.db2.gz JICNYOVCXCJPMD-HNNXBMFYSA-N 1 3 385.350 1.617 20 0 GDADHO C[N@H+](C[C@@H](O)CNCCc1ccc(I)s1)C1CC1 ZINC000517358634 648565203 /nfs/dbraw/zinc/56/52/03/648565203.db2.gz HKVKKBBOUPBGSV-NSHDSACASA-N 1 3 380.295 1.940 20 0 GDADHO C[N@@H+](C[C@@H](O)CNCCc1ccc(I)s1)C1CC1 ZINC000517358634 648565206 /nfs/dbraw/zinc/56/52/06/648565206.db2.gz HKVKKBBOUPBGSV-NSHDSACASA-N 1 3 380.295 1.940 20 0 GDADHO CN(C)CCC[N@H+](C)CCNc1cc(Br)cc(F)c1C(N)=O ZINC000664247897 654370304 /nfs/dbraw/zinc/37/03/04/654370304.db2.gz JWKYYNSRJQUGIH-UHFFFAOYSA-N 1 3 375.286 1.983 20 0 GDADHO CN(C)CCC[N@@H+](C)CCNc1cc(Br)cc(F)c1C(N)=O ZINC000664247897 654370312 /nfs/dbraw/zinc/37/03/12/654370312.db2.gz JWKYYNSRJQUGIH-UHFFFAOYSA-N 1 3 375.286 1.983 20 0 GDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819004260 655383078 /nfs/dbraw/zinc/38/30/78/655383078.db2.gz LXXQVAMMKKHZPD-HOCLYGCPSA-N 1 3 384.318 1.660 20 0 GDADHO Ic1cnnn1C1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000852760045 655622245 /nfs/dbraw/zinc/62/22/45/655622245.db2.gz UQXIMTQLWRTJMA-GFCCVEGCSA-N 1 3 389.285 1.909 20 0 GDADHO CN(C)CCC[N@H+](C)CCNc1ccc(Br)cc1S(N)(=O)=O ZINC000865939833 655930655 /nfs/dbraw/zinc/93/06/55/655930655.db2.gz ZBTFGMPCACWBDA-UHFFFAOYSA-N 1 3 393.351 1.392 20 0 GDADHO CN(C)CCC[N@@H+](C)CCNc1ccc(Br)cc1S(N)(=O)=O ZINC000865939833 655930657 /nfs/dbraw/zinc/93/06/57/655930657.db2.gz ZBTFGMPCACWBDA-UHFFFAOYSA-N 1 3 393.351 1.392 20 0 GDADHO CCN1CC[NH+](CCCCNC(=O)[C@H](N)c2cccc(Br)c2)CC1 ZINC000876780693 656630108 /nfs/dbraw/zinc/63/01/08/656630108.db2.gz IPNPIGVTQPLCMA-QGZVFWFLSA-N 1 3 397.361 1.983 20 0 GDADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(CN)ncn1)CC2 ZINC001164714135 720109139 /nfs/dbraw/zinc/10/91/39/720109139.db2.gz AEHIAVZXTLLGBN-IBGZPJMESA-N 1 3 382.512 1.838 20 0 GDADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(CN)ncn1)CC2 ZINC001164714135 720109147 /nfs/dbraw/zinc/10/91/47/720109147.db2.gz AEHIAVZXTLLGBN-IBGZPJMESA-N 1 3 382.512 1.838 20 0 GDADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(CN(C)C)ccn1)CCC2 ZINC001164812366 720242694 /nfs/dbraw/zinc/24/26/94/720242694.db2.gz GRFLDYLGCLTWEG-UHFFFAOYSA-N 1 3 384.528 1.950 20 0 GDADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(CN(C)C)ccn1)CCC2 ZINC001164812366 720242698 /nfs/dbraw/zinc/24/26/98/720242698.db2.gz GRFLDYLGCLTWEG-UHFFFAOYSA-N 1 3 384.528 1.950 20 0 GDADHO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4c(nn3)CCNC4)CC[C@@H]21 ZINC001164835847 720571388 /nfs/dbraw/zinc/57/13/88/720571388.db2.gz INGDKKJIPPNXTN-BJLQDIEVSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4c(nn3)CCNC4)CC[C@@H]21 ZINC001164835847 720571391 /nfs/dbraw/zinc/57/13/91/720571391.db2.gz INGDKKJIPPNXTN-BJLQDIEVSA-N 1 3 381.528 1.697 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4cc5c(nn4)CCNC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164741330 720838403 /nfs/dbraw/zinc/83/84/03/720838403.db2.gz FCQISMPGRQLGID-BJLQDIEVSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4cc5c(nn4)CCNC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164741330 720838404 /nfs/dbraw/zinc/83/84/04/720838404.db2.gz FCQISMPGRQLGID-BJLQDIEVSA-N 1 3 394.527 1.093 20 0 GDADHO Cn1cc(CN2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762031 721175374 /nfs/dbraw/zinc/17/53/74/721175374.db2.gz BYPOZQGYKLOPGM-OALUTQOASA-N 1 3 381.528 1.183 20 0 GDADHO Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164866465 721197681 /nfs/dbraw/zinc/19/76/81/721197681.db2.gz AYFMZTWXZCYFBA-RTBURBONSA-N 1 3 380.496 1.347 20 0 GDADHO Cc1cc(N2CCCC2)nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)[nH+]1 ZINC001165008192 721728887 /nfs/dbraw/zinc/72/88/87/721728887.db2.gz KRBHEXRMDATXHT-UHFFFAOYSA-N 1 3 386.544 1.908 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC[N@@H+]1C ZINC001571281775 945814048 /nfs/dbraw/zinc/81/40/48/945814048.db2.gz NRMYOLRRELPGCI-VHDGCEQUSA-N 1 3 387.463 1.037 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC[N@H+]1C ZINC001571281775 945814053 /nfs/dbraw/zinc/81/40/53/945814053.db2.gz NRMYOLRRELPGCI-VHDGCEQUSA-N 1 3 387.463 1.037 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC[N@@H+]1C ZINC001571281775 945814068 /nfs/dbraw/zinc/81/40/68/945814068.db2.gz NRMYOLRRELPGCI-VHDGCEQUSA-N 1 3 387.463 1.037 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC[N@H+]1C ZINC001571281775 945814084 /nfs/dbraw/zinc/81/40/84/945814084.db2.gz NRMYOLRRELPGCI-VHDGCEQUSA-N 1 3 387.463 1.037 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)CC[NH+](C)C ZINC001574520915 950755695 /nfs/dbraw/zinc/75/56/95/950755695.db2.gz BBYACONFKQFYES-STQMWFEESA-N 1 3 377.468 1.330 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091916 951787922 /nfs/dbraw/zinc/78/79/22/951787922.db2.gz YRCJUGZUMVDNMH-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091916 951787926 /nfs/dbraw/zinc/78/79/26/951787926.db2.gz YRCJUGZUMVDNMH-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001575099232 951831098 /nfs/dbraw/zinc/83/10/98/951831098.db2.gz JDOJWGNWEAOKMG-GFCCVEGCSA-N 1 3 377.518 1.349 20 0 GDADHO CCOCCOc1ccc(Br)cc1CNCCN1CC[NH2+]CC1 ZINC000414870386 531464663 /nfs/dbraw/zinc/46/46/63/531464663.db2.gz SKMGNNDCWGNMAW-UHFFFAOYSA-N 1 3 386.334 1.859 20 0 GDADHO COc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Br ZINC000617502284 531660970 /nfs/dbraw/zinc/66/09/70/531660970.db2.gz KAEYTZOOJBIKKZ-LBPRGKRZSA-N 1 3 387.322 1.855 20 0 GDADHO COc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Br ZINC000617502284 531660976 /nfs/dbraw/zinc/66/09/76/531660976.db2.gz KAEYTZOOJBIKKZ-LBPRGKRZSA-N 1 3 387.322 1.855 20 0 GDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422883767 532068993 /nfs/dbraw/zinc/06/89/93/532068993.db2.gz VNAKETIROYBWFT-VBNZEHGJSA-N 1 3 384.318 1.911 20 0 GDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108107 532072649 /nfs/dbraw/zinc/07/26/49/532072649.db2.gz SSXDJTGGLASJGY-GZBFAFLISA-N 1 3 375.922 1.350 20 0 GDADHO Cc1c(Cl)cnc(N(CCC[NH+](C)C)CCC[NH+](C)C)c1-c1nnn[n-]1 ZINC000826237237 609568654 /nfs/dbraw/zinc/56/86/54/609568654.db2.gz SXFJXBSDFHNXCY-UHFFFAOYSA-N 1 3 380.928 1.933 20 0 GDADHO Cc1c(Cl)cnc(N(CCC[NH+](C)C)CCC[NH+](C)C)c1-c1nn[n-]n1 ZINC000826237237 609568656 /nfs/dbraw/zinc/56/86/56/609568656.db2.gz SXFJXBSDFHNXCY-UHFFFAOYSA-N 1 3 380.928 1.933 20 0 GDADHO COCC[N@@H+]1CCCN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000564929474 650773407 /nfs/dbraw/zinc/77/34/07/650773407.db2.gz SDVGGPROQLLNSH-QGZVFWFLSA-N 1 3 384.318 1.804 20 0 GDADHO COCC[N@H+]1CCCN(C(=O)[C@](C)(N)c2ccc(Br)cc2)CC1 ZINC000564929474 650773408 /nfs/dbraw/zinc/77/34/08/650773408.db2.gz SDVGGPROQLLNSH-QGZVFWFLSA-N 1 3 384.318 1.804 20 0 GDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423101138 646114600 /nfs/dbraw/zinc/11/46/00/646114600.db2.gz IEPLRUMKZCFPPD-GXTWGEPZSA-N 1 3 390.347 1.835 20 0 GDADHO CN(C)CCN(Cc1ccsc1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632442138 653359201 /nfs/dbraw/zinc/35/92/01/653359201.db2.gz UEYIRRLIPFHJBZ-UHFFFAOYSA-N 1 3 388.603 1.079 20 0 GDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnn2cc(Br)cnc12 ZINC000639169792 653547866 /nfs/dbraw/zinc/54/78/66/653547866.db2.gz JVWJEXLECGUJNA-UHFFFAOYSA-N 1 3 395.349 1.950 20 0 GDADHO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CCN(CC(C)(C)O)CC2)CCC1 ZINC000896283361 658763905 /nfs/dbraw/zinc/76/39/05/658763905.db2.gz PIMOZGGQOFXIDD-UHFFFAOYSA-N 1 3 375.579 1.452 20 0 GDADHO c1nc2n(c1CN1CCCC1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164736168 720577230 /nfs/dbraw/zinc/57/72/30/720577230.db2.gz FXVZMGCVVYFYJH-UHFFFAOYSA-N 1 3 381.528 1.346 20 0 GDADHO COCC[N@@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]2C1 ZINC001164859592 720871379 /nfs/dbraw/zinc/87/13/79/720871379.db2.gz UOWXOWJMBDYOIZ-RDTXWAMCSA-N 1 3 380.920 1.554 20 0 GDADHO COCC[N@H+]1CCO[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)CC[C@@H]2C1 ZINC001164859592 720871382 /nfs/dbraw/zinc/87/13/82/720871382.db2.gz UOWXOWJMBDYOIZ-RDTXWAMCSA-N 1 3 380.920 1.554 20 0 GDADHO Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164971306 722158719 /nfs/dbraw/zinc/15/87/19/722158719.db2.gz BQTPOBRSVURIFL-ICSRJNTNSA-N 1 3 394.523 1.594 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964133 949765420 /nfs/dbraw/zinc/76/54/20/949765420.db2.gz QQYIVBPKSMQYLC-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964133 949765427 /nfs/dbraw/zinc/76/54/27/949765427.db2.gz QQYIVBPKSMQYLC-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964133 949765435 /nfs/dbraw/zinc/76/54/35/949765435.db2.gz QQYIVBPKSMQYLC-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964133 949765448 /nfs/dbraw/zinc/76/54/48/949765448.db2.gz QQYIVBPKSMQYLC-JYJNAYRXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574731256 950042256 /nfs/dbraw/zinc/04/22/56/950042256.db2.gz CHCJUUUDEIFWFW-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574731256 950042279 /nfs/dbraw/zinc/04/22/79/950042279.db2.gz CHCJUUUDEIFWFW-WOSRLPQWSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089041 951745505 /nfs/dbraw/zinc/74/55/05/951745505.db2.gz CRJLJAGBPZSXJW-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089041 951745517 /nfs/dbraw/zinc/74/55/17/951745517.db2.gz CRJLJAGBPZSXJW-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089041 951745523 /nfs/dbraw/zinc/74/55/23/951745523.db2.gz CRJLJAGBPZSXJW-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089041 951745533 /nfs/dbraw/zinc/74/55/33/951745533.db2.gz CRJLJAGBPZSXJW-WOSRLPQWSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089042 951745970 /nfs/dbraw/zinc/74/59/70/951745970.db2.gz CRJLJAGBPZSXJW-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089042 951745972 /nfs/dbraw/zinc/74/59/72/951745972.db2.gz CRJLJAGBPZSXJW-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089042 951745974 /nfs/dbraw/zinc/74/59/74/951745974.db2.gz CRJLJAGBPZSXJW-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575089042 951745976 /nfs/dbraw/zinc/74/59/76/951745976.db2.gz CRJLJAGBPZSXJW-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC000922394514 1126135314 /nfs/dbraw/zinc/13/53/14/1126135314.db2.gz WWLMJSKGUUCQOJ-XSYGEPLQSA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@@H]1C(C)C ZINC000922394514 1126135316 /nfs/dbraw/zinc/13/53/16/1126135316.db2.gz WWLMJSKGUUCQOJ-XSYGEPLQSA-N 1 3 394.585 1.939 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(I)c1 ZINC000531119216 531405848 /nfs/dbraw/zinc/40/58/48/531405848.db2.gz YSUJDJNDRBEZGH-UHFFFAOYSA-N 1 3 395.310 1.918 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nc(C2CC2)ncc1Br ZINC000559097125 531595666 /nfs/dbraw/zinc/59/56/66/531595666.db2.gz BLRZAQPOIHNZFU-UHFFFAOYSA-N 1 3 384.322 1.682 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000617502660 531661679 /nfs/dbraw/zinc/66/16/79/531661679.db2.gz XYHHTBFMCLWEGI-KBPBESRZSA-N 1 3 388.354 1.985 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000617502660 531661686 /nfs/dbraw/zinc/66/16/86/531661686.db2.gz XYHHTBFMCLWEGI-KBPBESRZSA-N 1 3 388.354 1.985 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000666090214 531747010 /nfs/dbraw/zinc/74/70/10/531747010.db2.gz MPQAJJFSRRCQSE-ZBFHGGJFSA-N 1 3 397.361 1.757 20 0 GDADHO CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736532033 598519975 /nfs/dbraw/zinc/51/99/75/598519975.db2.gz PRSGNVPNKFYVPT-HNNXBMFYSA-N 1 3 395.515 1.737 20 0 GDADHO CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736532033 598519976 /nfs/dbraw/zinc/51/99/76/598519976.db2.gz PRSGNVPNKFYVPT-HNNXBMFYSA-N 1 3 395.515 1.737 20 0 GDADHO C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821587023 606421819 /nfs/dbraw/zinc/42/18/19/606421819.db2.gz CIKGWVLIWKSTQA-UHFFFAOYSA-N 1 3 385.497 1.509 20 0 GDADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cncc(Br)c1 ZINC000565845289 650817604 /nfs/dbraw/zinc/81/76/04/650817604.db2.gz SYUUFGPGLCGQNP-HNNXBMFYSA-N 1 3 385.350 1.885 20 0 GDADHO CN(CC[NH2+]C1CCN(CC(C)(C)O)CC1)S(=O)(=O)c1cccs1 ZINC000638788445 653543699 /nfs/dbraw/zinc/54/36/99/653543699.db2.gz YMGVELMTYFTOOE-UHFFFAOYSA-N 1 3 375.560 1.194 20 0 GDADHO CCCC[C@@H](CN)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963876 655363074 /nfs/dbraw/zinc/36/30/74/655363074.db2.gz WQQDIMFKNUGMAH-HIFRSBDPSA-N 1 3 391.559 1.580 20 0 GDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1ccccc1Br ZINC000849096171 655517274 /nfs/dbraw/zinc/51/72/74/655517274.db2.gz GQPSILICXQYIPL-KGLIPLIRSA-N 1 3 399.333 1.787 20 0 GDADHO c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735903 720446389 /nfs/dbraw/zinc/44/63/89/720446389.db2.gz ZFYAFMBUDGMPLI-MOPGFXCFSA-N 1 3 380.496 1.856 20 0 GDADHO Cc1nc(N2CCCC2)cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164752354 720947256 /nfs/dbraw/zinc/94/72/56/720947256.db2.gz XZFNKUNPGYHLQD-UHFFFAOYSA-N 1 3 399.499 1.227 20 0 GDADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164762030 721176482 /nfs/dbraw/zinc/17/64/82/721176482.db2.gz BYPOZQGYKLOPGM-MOPGFXCFSA-N 1 3 381.528 1.183 20 0 GDADHO c1cncc(CN2CCO[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3C2)c1 ZINC001164981678 722100128 /nfs/dbraw/zinc/10/01/28/722100128.db2.gz LYMQUCKRPRNGGU-GHTZIAJQSA-N 1 3 394.523 1.287 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574919014 948862159 /nfs/dbraw/zinc/86/21/59/948862159.db2.gz UEWWVKPLPKNNPY-CQSZACIVSA-N 1 3 389.479 1.476 20 0 GDADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574701846 949272696 /nfs/dbraw/zinc/27/26/96/949272696.db2.gz FPYUARRBDLBEET-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906942 950319699 /nfs/dbraw/zinc/31/96/99/950319699.db2.gz KZQYREHUJOACPQ-WBMJQRKESA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906942 950319715 /nfs/dbraw/zinc/31/97/15/950319715.db2.gz KZQYREHUJOACPQ-WBMJQRKESA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911246 950442523 /nfs/dbraw/zinc/44/25/23/950442523.db2.gz OEMBREBFYHUDMG-WMLDXEAASA-N 1 3 381.484 1.042 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911246 950442545 /nfs/dbraw/zinc/44/25/45/950442545.db2.gz OEMBREBFYHUDMG-WMLDXEAASA-N 1 3 381.484 1.042 20 0 GDADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576228694 950953513 /nfs/dbraw/zinc/95/35/13/950953513.db2.gz IKIZFINDVYSWNF-WMLDXEAASA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576228694 950953525 /nfs/dbraw/zinc/95/35/25/950953525.db2.gz IKIZFINDVYSWNF-WMLDXEAASA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077475 951669070 /nfs/dbraw/zinc/66/90/70/951669070.db2.gz DXLZKVYJUFAZFL-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077475 951669073 /nfs/dbraw/zinc/66/90/73/951669073.db2.gz DXLZKVYJUFAZFL-ZDUSSCGKSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575101716 951864393 /nfs/dbraw/zinc/86/43/93/951864393.db2.gz IVAPWXOJSKDHFD-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCC[NH+](C)C ZINC001575106163 951903031 /nfs/dbraw/zinc/90/30/31/951903031.db2.gz QNGZCMDFOVKYLN-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCC[NH+](C)C ZINC001575106163 951903037 /nfs/dbraw/zinc/90/30/37/951903037.db2.gz QNGZCMDFOVKYLN-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO O=C(COc1ccc(Br)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178973154 530733058 /nfs/dbraw/zinc/73/30/58/530733058.db2.gz ROFHVDVPBZFZFP-UHFFFAOYSA-N 1 3 396.329 1.972 20 0 GDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnc(SC)s1 ZINC000527101948 531314084 /nfs/dbraw/zinc/31/40/84/531314084.db2.gz XHUNLGSYGAPURG-ZDUSSCGKSA-N 1 3 386.591 1.818 20 0 GDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nnc(SC)s1 ZINC000527101948 531314087 /nfs/dbraw/zinc/31/40/87/531314087.db2.gz XHUNLGSYGAPURG-ZDUSSCGKSA-N 1 3 386.591 1.818 20 0 GDADHO COc1nc(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)ncc1Br ZINC000414738827 531462376 /nfs/dbraw/zinc/46/23/76/531462376.db2.gz FLTZZKASUVIPRY-CHWSQXEVSA-N 1 3 384.322 1.758 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000414763270 531462459 /nfs/dbraw/zinc/46/24/59/531462459.db2.gz XGFUIMNCMCDHQJ-LBPRGKRZSA-N 1 3 390.347 1.502 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2cc(Br)cs2)C1 ZINC000414763270 531462466 /nfs/dbraw/zinc/46/24/66/531462466.db2.gz XGFUIMNCMCDHQJ-LBPRGKRZSA-N 1 3 390.347 1.502 20 0 GDADHO FC(F)(F)CCN1CCC(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414993913 531464602 /nfs/dbraw/zinc/46/46/02/531464602.db2.gz UVPJMPDOFNRUBC-ZDUSSCGKSA-N 1 3 376.389 1.829 20 0 GDADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000419889588 531982427 /nfs/dbraw/zinc/98/24/27/531982427.db2.gz LGEMGIDJIIRMLB-UHFFFAOYSA-N 1 3 399.333 1.065 20 0 GDADHO CCOC(=O)C1([C@@H](C)NCc2ccc(S(=O)(=O)CC)s2)CC[NH2+]CC1 ZINC000423087943 532070504 /nfs/dbraw/zinc/07/05/04/532070504.db2.gz QPQTZDMOEBHEOF-CYBMUJFWSA-N 1 3 388.555 1.953 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736225335 598523407 /nfs/dbraw/zinc/52/34/07/598523407.db2.gz BNMXSDGCOQRQJO-OWCLPIDISA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736225335 598523410 /nfs/dbraw/zinc/52/34/10/598523410.db2.gz BNMXSDGCOQRQJO-OWCLPIDISA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736225335 598523412 /nfs/dbraw/zinc/52/34/12/598523412.db2.gz BNMXSDGCOQRQJO-OWCLPIDISA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736225335 598523414 /nfs/dbraw/zinc/52/34/14/598523414.db2.gz BNMXSDGCOQRQJO-OWCLPIDISA-N 1 3 387.536 1.453 20 0 GDADHO C[N@H+](C[C@H](O)CNC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716647 650809793 /nfs/dbraw/zinc/80/97/93/650809793.db2.gz KIMFZIBXJJUBBC-DZGCQCFKSA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@H](O)CNC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716647 650809795 /nfs/dbraw/zinc/80/97/95/650809795.db2.gz KIMFZIBXJJUBBC-DZGCQCFKSA-N 1 3 389.309 1.784 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000525882770 648701193 /nfs/dbraw/zinc/70/11/93/648701193.db2.gz UHBQJLQQBKLDET-UHFFFAOYSA-N 1 3 376.835 1.509 20 0 GDADHO Cc1ccc(C[C@@H](CO)CNC[C@H](O)C[N@@H+](C)C2CC2)cc1Br ZINC000572039569 651088822 /nfs/dbraw/zinc/08/88/22/651088822.db2.gz QQUGPRKPYDQROX-WBVHZDCISA-N 1 3 385.346 1.953 20 0 GDADHO Cc1ccc(C[C@@H](CO)CNC[C@H](O)C[N@H+](C)C2CC2)cc1Br ZINC000572039569 651088825 /nfs/dbraw/zinc/08/88/25/651088825.db2.gz QQUGPRKPYDQROX-WBVHZDCISA-N 1 3 385.346 1.953 20 0 GDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638363095 653539042 /nfs/dbraw/zinc/53/90/42/653539042.db2.gz HWWPWNPANPNJNA-ZDUSSCGKSA-N 1 3 381.322 1.607 20 0 GDADHO CC[NH+]1CCC(N2CCC(C(=O)Nn3cc(Br)cn3)CC2)CC1 ZINC000847604506 655472993 /nfs/dbraw/zinc/47/29/93/655472993.db2.gz MUSIWJJOPKDHAY-UHFFFAOYSA-N 1 3 384.322 1.912 20 0 GDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccccc1Br ZINC000849096173 655517297 /nfs/dbraw/zinc/51/72/97/655517297.db2.gz GQPSILICXQYIPL-ZIAGYGMSSA-N 1 3 399.333 1.787 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cn(C)nc1Br ZINC000923201759 656532033 /nfs/dbraw/zinc/53/20/33/656532033.db2.gz ULRDMBYDISXCDM-LBPRGKRZSA-N 1 3 389.342 1.254 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cn(C)nc1Br ZINC000923201759 656532037 /nfs/dbraw/zinc/53/20/37/656532037.db2.gz ULRDMBYDISXCDM-LBPRGKRZSA-N 1 3 389.342 1.254 20 0 GDADHO COCCN(C[C@H](O)c1cc(Br)no1)CC1CC[NH+](C)CC1 ZINC000879127532 656776637 /nfs/dbraw/zinc/77/66/37/656776637.db2.gz YBCSVVLOWUMCKP-ZDUSSCGKSA-N 1 3 376.295 1.761 20 0 GDADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](N)c2ccc(Br)cc2)CC1 ZINC000884234150 657338528 /nfs/dbraw/zinc/33/85/28/657338528.db2.gz JOQZAAZBNKUEJL-INIZCTEOSA-N 1 3 383.334 1.593 20 0 GDADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164770778 721206028 /nfs/dbraw/zinc/20/60/28/721206028.db2.gz OJNIKANRXBYKGL-QZTJIDSGSA-N 1 3 397.527 1.299 20 0 GDADHO Cn1cc(CN2CC[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164770775 721206547 /nfs/dbraw/zinc/20/65/47/721206547.db2.gz OJNIKANRXBYKGL-MSOLQXFVSA-N 1 3 397.527 1.299 20 0 GDADHO Cc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164971301 722158711 /nfs/dbraw/zinc/15/87/11/722158711.db2.gz BQTPOBRSVURIFL-AZUAARDMSA-N 1 3 394.523 1.594 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715442 949651533 /nfs/dbraw/zinc/65/15/33/949651533.db2.gz CPKCUPONUMTGMW-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715442 949651549 /nfs/dbraw/zinc/65/15/49/949651549.db2.gz CPKCUPONUMTGMW-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715442 949651564 /nfs/dbraw/zinc/65/15/64/949651564.db2.gz CPKCUPONUMTGMW-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715442 949651578 /nfs/dbraw/zinc/65/15/78/949651578.db2.gz CPKCUPONUMTGMW-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574716992 949717522 /nfs/dbraw/zinc/71/75/22/949717522.db2.gz NJKMHZXWYAZDFP-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574523472 950819008 /nfs/dbraw/zinc/81/90/08/950819008.db2.gz NWGUFBWTYFTSAC-QWHCGFSZSA-N 1 3 391.545 1.785 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523472 950819034 /nfs/dbraw/zinc/81/90/34/950819034.db2.gz NWGUFBWTYFTSAC-QWHCGFSZSA-N 1 3 391.545 1.785 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575078865 951684480 /nfs/dbraw/zinc/68/44/80/951684480.db2.gz AQKMCPCVOZFVEA-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575078865 951684484 /nfs/dbraw/zinc/68/44/84/951684484.db2.gz AQKMCPCVOZFVEA-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[NH+](C)C ZINC001575079808 951697353 /nfs/dbraw/zinc/69/73/53/951697353.db2.gz GMLCOVYFUPJRMM-CXAGYDPISA-N 1 3 391.495 1.434 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001571234598 953203785 /nfs/dbraw/zinc/20/37/85/953203785.db2.gz CVKHNANJDLJYEX-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001571234598 953203786 /nfs/dbraw/zinc/20/37/86/953203786.db2.gz CVKHNANJDLJYEX-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001571234598 953203788 /nfs/dbraw/zinc/20/37/88/953203788.db2.gz CVKHNANJDLJYEX-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001571234598 953203790 /nfs/dbraw/zinc/20/37/90/953203790.db2.gz CVKHNANJDLJYEX-QGZVFWFLSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234686 953204960 /nfs/dbraw/zinc/20/49/60/953204960.db2.gz FUXXLGLTCRCNGV-HZPDHXFCSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234686 953204963 /nfs/dbraw/zinc/20/49/63/953204963.db2.gz FUXXLGLTCRCNGV-HZPDHXFCSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234686 953204966 /nfs/dbraw/zinc/20/49/66/953204966.db2.gz FUXXLGLTCRCNGV-HZPDHXFCSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234686 953204968 /nfs/dbraw/zinc/20/49/68/953204968.db2.gz FUXXLGLTCRCNGV-HZPDHXFCSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419793700 531971552 /nfs/dbraw/zinc/97/15/52/531971552.db2.gz JPEDMAGESPSVSE-GFCCVEGCSA-N 1 3 390.347 1.918 20 0 GDADHO C[N@H+]1CCC[C@H](CCNCc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000419793700 531971558 /nfs/dbraw/zinc/97/15/58/531971558.db2.gz JPEDMAGESPSVSE-GFCCVEGCSA-N 1 3 390.347 1.918 20 0 GDADHO CN1CC[NH+](CCCCNCc2ncc(I)s2)CC1 ZINC000579988981 532070017 /nfs/dbraw/zinc/07/00/17/532070017.db2.gz UYOZABUUMBMKPJ-UHFFFAOYSA-N 1 3 394.326 1.865 20 0 GDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423109790 532072532 /nfs/dbraw/zinc/07/25/32/532072532.db2.gz UXJLBBZZGIKJNV-VHRBIJSZSA-N 1 3 379.885 1.099 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000736145157 598356648 /nfs/dbraw/zinc/35/66/48/598356648.db2.gz BOYWVLIJGAPTCO-HNNXBMFYSA-N 1 3 383.500 1.644 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000736145157 598356650 /nfs/dbraw/zinc/35/66/50/598356650.db2.gz BOYWVLIJGAPTCO-HNNXBMFYSA-N 1 3 383.500 1.644 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000736145157 598356654 /nfs/dbraw/zinc/35/66/54/598356654.db2.gz BOYWVLIJGAPTCO-HNNXBMFYSA-N 1 3 383.500 1.644 20 0 GDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000736145157 598356656 /nfs/dbraw/zinc/35/66/56/598356656.db2.gz BOYWVLIJGAPTCO-HNNXBMFYSA-N 1 3 383.500 1.644 20 0 GDADHO c1nn2c(c1-c1nnn[n-]1)NC[C@@H](C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000738410720 598520572 /nfs/dbraw/zinc/52/05/72/598520572.db2.gz MOGAQVDLISHWOC-QGZVFWFLSA-N 1 3 393.499 1.491 20 0 GDADHO c1nn2c(c1-c1nn[n-]n1)NC[C@@H](C[NH2+]Cc1cccc(C[NH+]3CCCC3)c1)C2 ZINC000738410720 598520573 /nfs/dbraw/zinc/52/05/73/598520573.db2.gz MOGAQVDLISHWOC-QGZVFWFLSA-N 1 3 393.499 1.491 20 0 GDADHO CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000735857308 598525542 /nfs/dbraw/zinc/52/55/42/598525542.db2.gz SXWISQPCYUCLNF-KRWDZBQOSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000735857308 598525544 /nfs/dbraw/zinc/52/55/44/598525544.db2.gz SXWISQPCYUCLNF-KRWDZBQOSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000735857308 598525546 /nfs/dbraw/zinc/52/55/46/598525546.db2.gz SXWISQPCYUCLNF-KRWDZBQOSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000735857308 598525548 /nfs/dbraw/zinc/52/55/48/598525548.db2.gz SXWISQPCYUCLNF-KRWDZBQOSA-N 1 3 395.515 1.735 20 0 GDADHO c1ccc(-c2nnn[n-]2)c(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000823771714 599684820 /nfs/dbraw/zinc/68/48/20/599684820.db2.gz CZGNCFMMUWANPT-UHFFFAOYSA-N 1 3 386.500 1.822 20 0 GDADHO c1ccc(-c2nn[n-]n2)c(OCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000823771714 599684821 /nfs/dbraw/zinc/68/48/21/599684821.db2.gz CZGNCFMMUWANPT-UHFFFAOYSA-N 1 3 386.500 1.822 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(Cl)c1Cl ZINC000570467486 651041483 /nfs/dbraw/zinc/04/14/83/651041483.db2.gz PCBAEXGNUASPTP-UHFFFAOYSA-N 1 3 389.327 1.561 20 0 GDADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)CN2CCCC2)s1 ZINC000629559847 653171791 /nfs/dbraw/zinc/17/17/91/653171791.db2.gz NZCKXUYTHHRHBN-HNNXBMFYSA-N 1 3 389.587 1.367 20 0 GDADHO NS(=O)(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000639310837 653549793 /nfs/dbraw/zinc/54/97/93/653549793.db2.gz ICQZTJUXYWBHCH-UHFFFAOYSA-N 1 3 380.539 1.792 20 0 GDADHO [NH3+][C@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227839 657337474 /nfs/dbraw/zinc/33/74/74/657337474.db2.gz ZEURQKOBHSMRCM-CJNGLKHVSA-N 1 3 382.302 1.630 20 0 GDADHO CCN(CCNC(=O)N1CCc2sc(C[NH3+])nc2C1)CCC(F)(F)F ZINC000891856824 658277640 /nfs/dbraw/zinc/27/76/40/658277640.db2.gz LJEIBJAYSZMIMP-UHFFFAOYSA-N 1 3 379.452 1.944 20 0 GDADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906465386 659544997 /nfs/dbraw/zinc/54/49/97/659544997.db2.gz JGIQTJMCDMMTNL-CYBMUJFWSA-N 1 3 386.751 1.782 20 0 GDADHO Cc1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164866464 721196903 /nfs/dbraw/zinc/19/69/03/721196903.db2.gz AYFMZTWXZCYFBA-RBUKOAKNSA-N 1 3 380.496 1.347 20 0 GDADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164908754 721537286 /nfs/dbraw/zinc/53/72/86/721537286.db2.gz QLKAGSOUWJAZCA-PKOBYXMFSA-N 1 3 398.486 1.367 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715443 949650477 /nfs/dbraw/zinc/65/04/77/949650477.db2.gz CPKCUPONUMTGMW-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715443 949650488 /nfs/dbraw/zinc/65/04/88/949650488.db2.gz CPKCUPONUMTGMW-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715443 949650500 /nfs/dbraw/zinc/65/05/00/949650500.db2.gz CPKCUPONUMTGMW-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715443 949650511 /nfs/dbraw/zinc/65/05/11/949650511.db2.gz CPKCUPONUMTGMW-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574717221 949729146 /nfs/dbraw/zinc/72/91/46/949729146.db2.gz OAGWHLXOTPJHPQ-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574717221 949729157 /nfs/dbraw/zinc/72/91/57/949729157.db2.gz OAGWHLXOTPJHPQ-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082166 951731630 /nfs/dbraw/zinc/73/16/30/951731630.db2.gz VHHFUXPXLNIHRY-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575082166 951731638 /nfs/dbraw/zinc/73/16/38/951731638.db2.gz VHHFUXPXLNIHRY-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082166 951731644 /nfs/dbraw/zinc/73/16/44/951731644.db2.gz VHHFUXPXLNIHRY-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575082166 951731650 /nfs/dbraw/zinc/73/16/50/951731650.db2.gz VHHFUXPXLNIHRY-UMVBOHGHSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113383 951938680 /nfs/dbraw/zinc/93/86/80/951938680.db2.gz AIKYXOUFDHUORH-HNNXBMFYSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113383 951938683 /nfs/dbraw/zinc/93/86/83/951938683.db2.gz AIKYXOUFDHUORH-HNNXBMFYSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113622 951943840 /nfs/dbraw/zinc/94/38/40/951943840.db2.gz CIJGTKVAUSKHAE-DOTOQJQBSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113622 951943845 /nfs/dbraw/zinc/94/38/45/951943845.db2.gz CIJGTKVAUSKHAE-DOTOQJQBSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113622 951943854 /nfs/dbraw/zinc/94/38/54/951943854.db2.gz CIJGTKVAUSKHAE-DOTOQJQBSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113622 951943864 /nfs/dbraw/zinc/94/38/64/951943864.db2.gz CIJGTKVAUSKHAE-DOTOQJQBSA-N 1 3 385.516 1.583 20 0 GDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115124 951963398 /nfs/dbraw/zinc/96/33/98/951963398.db2.gz UXDFTZRMYZKHQO-MAUKXSAKSA-N 1 3 385.516 1.581 20 0 GDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115124 951963401 /nfs/dbraw/zinc/96/34/01/951963401.db2.gz UXDFTZRMYZKHQO-MAUKXSAKSA-N 1 3 385.516 1.581 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(I)c1 ZINC000118977022 530920156 /nfs/dbraw/zinc/92/01/56/530920156.db2.gz UWDIFSVHBZBIJO-UHFFFAOYSA-N 1 3 390.269 1.252 20 0 GDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)COc1ccc(I)cc1 ZINC000422911072 532069029 /nfs/dbraw/zinc/06/90/29/532069029.db2.gz SCMMWKRBHVJSOP-WHOFXGATSA-N 1 3 390.265 1.748 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820480243 606894673 /nfs/dbraw/zinc/89/46/73/606894673.db2.gz HCRJRFWBGRIION-MRXNPFEDSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820480243 606894674 /nfs/dbraw/zinc/89/46/74/606894674.db2.gz HCRJRFWBGRIION-MRXNPFEDSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820480243 606894675 /nfs/dbraw/zinc/89/46/75/606894675.db2.gz HCRJRFWBGRIION-MRXNPFEDSA-N 1 3 388.516 1.660 20 0 GDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820480243 606894676 /nfs/dbraw/zinc/89/46/76/606894676.db2.gz HCRJRFWBGRIION-MRXNPFEDSA-N 1 3 388.516 1.660 20 0 GDADHO CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825577468 609341398 /nfs/dbraw/zinc/34/13/98/609341398.db2.gz XBPNDJINUXRCDH-GOSISDBHSA-N 1 3 398.515 1.714 20 0 GDADHO CN1CCC(O)(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000474374860 647760593 /nfs/dbraw/zinc/76/05/93/647760593.db2.gz TUMMQGLVWKDAFR-UHFFFAOYSA-N 1 3 398.345 1.832 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)C1 ZINC000634997114 653504013 /nfs/dbraw/zinc/50/40/13/653504013.db2.gz CZMZNRMVOCKTDI-VUYXQBRFSA-N 1 3 378.314 1.874 20 0 GDADHO [NH3+]C[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(F)(F)F ZINC000655928232 653994673 /nfs/dbraw/zinc/99/46/73/653994673.db2.gz MLXAYFWRUZFYEG-VQXHTEKXSA-N 1 3 376.345 1.981 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cn2ncnc12 ZINC000824827243 655481029 /nfs/dbraw/zinc/48/10/29/655481029.db2.gz ZIJLFKVHMWHQHT-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)cn2ncnc12 ZINC000824827243 655481033 /nfs/dbraw/zinc/48/10/33/655481033.db2.gz ZIJLFKVHMWHQHT-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO Ic1cnnn1C1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000852758979 655622184 /nfs/dbraw/zinc/62/21/84/655622184.db2.gz IDFVPFKLPXOYBP-NSHDSACASA-N 1 3 375.258 1.519 20 0 GDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884592 656251609 /nfs/dbraw/zinc/25/16/09/656251609.db2.gz AVOCCHZAZUXVIN-WBVHZDCISA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884592 656251611 /nfs/dbraw/zinc/25/16/11/656251611.db2.gz AVOCCHZAZUXVIN-WBVHZDCISA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H](N)c3cccc(Br)c3)C2)CC1 ZINC000870884592 656251614 /nfs/dbraw/zinc/25/16/14/656251614.db2.gz AVOCCHZAZUXVIN-WBVHZDCISA-N 1 3 395.345 1.734 20 0 GDADHO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873210839 656389713 /nfs/dbraw/zinc/38/97/13/656389713.db2.gz DHAQZGURTGIWDR-UHFFFAOYSA-N 1 3 379.498 1.748 20 0 GDADHO c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1C[NH+]1CCCC1 ZINC001164742374 720756365 /nfs/dbraw/zinc/75/63/65/720756365.db2.gz OJQIZVPBCUEWQD-MOPGFXCFSA-N 1 3 380.496 1.809 20 0 GDADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(CN)ncn1)CC2 ZINC001164789445 721455629 /nfs/dbraw/zinc/45/56/29/721455629.db2.gz WHKMNKLKIYWTCU-LJQANCHMSA-N 1 3 389.544 1.669 20 0 GDADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(CN)ncn1)CC2 ZINC001164789445 721455631 /nfs/dbraw/zinc/45/56/31/721455631.db2.gz WHKMNKLKIYWTCU-LJQANCHMSA-N 1 3 389.544 1.669 20 0 GDADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164908750 721537272 /nfs/dbraw/zinc/53/72/72/721537272.db2.gz QLKAGSOUWJAZCA-MJGOQNOKSA-N 1 3 398.486 1.367 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571282533 945849997 /nfs/dbraw/zinc/84/99/97/945849997.db2.gz JQAMTNSAPWSTKE-LSDHHAIUSA-N 1 3 387.463 1.038 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571282533 945850013 /nfs/dbraw/zinc/85/00/13/945850013.db2.gz JQAMTNSAPWSTKE-LSDHHAIUSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574918376 948847239 /nfs/dbraw/zinc/84/72/39/948847239.db2.gz JYIUXWQHGKUVOZ-MRXNPFEDSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574918376 948847259 /nfs/dbraw/zinc/84/72/59/948847259.db2.gz JYIUXWQHGKUVOZ-MRXNPFEDSA-N 1 3 385.516 1.727 20 0 GDADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574704339 949384051 /nfs/dbraw/zinc/38/40/51/949384051.db2.gz MQUUVZOAZDUDLK-HNNXBMFYSA-N 1 3 383.500 1.432 20 0 GDADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)[NH+](C)C ZINC001575079812 951698388 /nfs/dbraw/zinc/69/83/88/951698388.db2.gz GMLCOVYFUPJRMM-DYVFJYSZSA-N 1 3 391.495 1.434 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575091242 951772479 /nfs/dbraw/zinc/77/24/79/951772479.db2.gz OXGCUFULONHYGH-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104136 951882407 /nfs/dbraw/zinc/88/24/07/951882407.db2.gz BPCGEFNMXFDMIL-RDTXWAMCSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104136 951882413 /nfs/dbraw/zinc/88/24/13/951882413.db2.gz BPCGEFNMXFDMIL-RDTXWAMCSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CCC[NH+](C)C ZINC001575106164 951902103 /nfs/dbraw/zinc/90/21/03/951902103.db2.gz QNGZCMDFOVKYLN-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CCC[NH+](C)C ZINC001575106164 951902119 /nfs/dbraw/zinc/90/21/19/951902119.db2.gz QNGZCMDFOVKYLN-ZDUSSCGKSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575109931 951935545 /nfs/dbraw/zinc/93/55/45/951935545.db2.gz WBDYTMHDGSDIMO-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575109931 951935547 /nfs/dbraw/zinc/93/55/47/951935547.db2.gz WBDYTMHDGSDIMO-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575109931 951935552 /nfs/dbraw/zinc/93/55/52/951935552.db2.gz WBDYTMHDGSDIMO-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575109931 951935554 /nfs/dbraw/zinc/93/55/54/951935554.db2.gz WBDYTMHDGSDIMO-MAUKXSAKSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113718 951944525 /nfs/dbraw/zinc/94/45/25/951944525.db2.gz DNEXSPSLAOSSFH-PMPSAXMXSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113718 951944528 /nfs/dbraw/zinc/94/45/28/951944528.db2.gz DNEXSPSLAOSSFH-PMPSAXMXSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113718 951944533 /nfs/dbraw/zinc/94/45/33/951944533.db2.gz DNEXSPSLAOSSFH-PMPSAXMXSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113718 951944536 /nfs/dbraw/zinc/94/45/36/951944536.db2.gz DNEXSPSLAOSSFH-PMPSAXMXSA-N 1 3 385.516 1.439 20 0 GDADHO O=C(N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001571191248 952945680 /nfs/dbraw/zinc/94/56/80/952945680.db2.gz OVZMROMZYVBWDP-INIZCTEOSA-N 1 3 381.484 1.043 20 0 GDADHO O=C(N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001571191248 952945684 /nfs/dbraw/zinc/94/56/84/952945684.db2.gz OVZMROMZYVBWDP-INIZCTEOSA-N 1 3 381.484 1.043 20 0 GDADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Br ZINC000130606818 531063063 /nfs/dbraw/zinc/06/30/63/531063063.db2.gz JWBQQTQRXUABBC-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662527274 531685250 /nfs/dbraw/zinc/68/52/50/531685250.db2.gz SIEBPQZXGAQEBD-KRWDZBQOSA-N 1 3 397.361 1.839 20 0 GDADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NCCN ZINC000419812418 531972784 /nfs/dbraw/zinc/97/27/84/531972784.db2.gz FCMGLXCQGNAESL-UHFFFAOYSA-N 1 3 375.300 1.349 20 0 GDADHO O=S(=O)(NCCC[NH2+][C@H]1CCCNCC1)c1ccccc1Br ZINC000423110081 532071833 /nfs/dbraw/zinc/07/18/33/532071833.db2.gz UKMIORBHMYUCHM-ZDUSSCGKSA-N 1 3 390.347 1.849 20 0 GDADHO CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000736532036 598520057 /nfs/dbraw/zinc/52/00/57/598520057.db2.gz PRSGNVPNKFYVPT-OAHLLOKOSA-N 1 3 395.515 1.737 20 0 GDADHO CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736532036 598520058 /nfs/dbraw/zinc/52/00/58/598520058.db2.gz PRSGNVPNKFYVPT-OAHLLOKOSA-N 1 3 395.515 1.737 20 0 GDADHO Cc1c(Br)cccc1C[C@@H](CO)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000567873438 650926301 /nfs/dbraw/zinc/92/63/01/650926301.db2.gz VVTPWNQBFICBOM-PBHICJAKSA-N 1 3 385.346 1.953 20 0 GDADHO Cc1c(Br)cccc1C[C@@H](CO)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000567873438 650926303 /nfs/dbraw/zinc/92/63/03/650926303.db2.gz VVTPWNQBFICBOM-PBHICJAKSA-N 1 3 385.346 1.953 20 0 GDADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000631917127 653269851 /nfs/dbraw/zinc/26/98/51/653269851.db2.gz KOXUEJMAQVTJME-UHFFFAOYSA-N 1 3 386.587 1.478 20 0 GDADHO C[C@@H]([NH2+]CCCN(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764518401 655217928 /nfs/dbraw/zinc/21/79/28/655217928.db2.gz BMQRNFJXAOIZHI-CYBMUJFWSA-N 1 3 377.532 1.015 20 0 GDADHO CCCC[C@H](CN)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963877 655363016 /nfs/dbraw/zinc/36/30/16/655363016.db2.gz WQQDIMFKNUGMAH-UKRRQHHQSA-N 1 3 391.559 1.580 20 0 GDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000819004855 655383099 /nfs/dbraw/zinc/38/30/99/655383099.db2.gz UGEAXHYHWXBTTG-ZBFHGGJFSA-N 1 3 384.318 1.660 20 0 GDADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000863749964 655879726 /nfs/dbraw/zinc/87/97/26/655879726.db2.gz HIRIAGZEYWXBKO-ZDUSSCGKSA-N 1 3 399.333 1.145 20 0 GDADHO Cn1nc(Br)nc1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000894303424 658536262 /nfs/dbraw/zinc/53/62/62/658536262.db2.gz BHGGJRJKWQMOFV-UHFFFAOYSA-N 1 3 385.354 1.618 20 0 GDADHO Cn1nc(Br)nc1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000894303424 658536269 /nfs/dbraw/zinc/53/62/69/658536269.db2.gz BHGGJRJKWQMOFV-UHFFFAOYSA-N 1 3 385.354 1.618 20 0 GDADHO CCOC(=O)c1c[nH]c2ncnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164685638 719612359 /nfs/dbraw/zinc/61/23/59/719612359.db2.gz VFQDDILHTBMULM-UHFFFAOYSA-N 1 3 397.483 1.806 20 0 GDADHO c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164735905 720445492 /nfs/dbraw/zinc/44/54/92/720445492.db2.gz ZFYAFMBUDGMPLI-RBUKOAKNSA-N 1 3 380.496 1.856 20 0 GDADHO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(n3)CCNC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835770 720518503 /nfs/dbraw/zinc/51/85/03/720518503.db2.gz LGFSTZALPNBCJY-XKGZKEIXSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc4c(n3)CCNC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835770 720518505 /nfs/dbraw/zinc/51/85/05/720518505.db2.gz LGFSTZALPNBCJY-XKGZKEIXSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@H+]1[C@@H]2CCN(c3cc4c(nn3)CCNC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835850 720571315 /nfs/dbraw/zinc/57/13/15/720571315.db2.gz INGDKKJIPPNXTN-WSTZPKSXSA-N 1 3 381.528 1.697 20 0 GDADHO CC(C)[N@@H+]1[C@@H]2CCN(c3cc4c(nn3)CCNC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835850 720571328 /nfs/dbraw/zinc/57/13/28/720571328.db2.gz INGDKKJIPPNXTN-WSTZPKSXSA-N 1 3 381.528 1.697 20 0 GDADHO [NH3+]C1CCN(c2cccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164745841 720743913 /nfs/dbraw/zinc/74/39/13/720743913.db2.gz WALUQFWEQCFGSR-ZWKOTPCHSA-N 1 3 395.511 1.141 20 0 GDADHO c1cncc(CO[C@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CCN3C2)c1 ZINC001164867671 721119175 /nfs/dbraw/zinc/11/91/75/721119175.db2.gz ZNFJPIVPMNZJHZ-UXHICEINSA-N 1 3 394.523 1.818 20 0 GDADHO Cc1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164866462 721197845 /nfs/dbraw/zinc/19/78/45/721197845.db2.gz AYFMZTWXZCYFBA-MOPGFXCFSA-N 1 3 380.496 1.347 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715445 949649987 /nfs/dbraw/zinc/64/99/87/949649987.db2.gz CPKCUPONUMTGMW-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574715445 949649997 /nfs/dbraw/zinc/64/99/97/949649997.db2.gz CPKCUPONUMTGMW-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715445 949650004 /nfs/dbraw/zinc/65/00/04/949650004.db2.gz CPKCUPONUMTGMW-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574715445 949650015 /nfs/dbraw/zinc/65/00/15/949650015.db2.gz CPKCUPONUMTGMW-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964594 949780939 /nfs/dbraw/zinc/78/09/39/949780939.db2.gz YPVGAATWWSBFHL-RDBSUJKOSA-N 1 3 389.479 1.330 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574964594 949780957 /nfs/dbraw/zinc/78/09/57/949780957.db2.gz YPVGAATWWSBFHL-RDBSUJKOSA-N 1 3 389.479 1.330 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906939 950321969 /nfs/dbraw/zinc/32/19/69/950321969.db2.gz KZQYREHUJOACPQ-LRDDRELGSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C(=O)CC[NH+](C)C ZINC001575906939 950321991 /nfs/dbraw/zinc/32/19/91/950321991.db2.gz KZQYREHUJOACPQ-LRDDRELGSA-N 1 3 375.452 1.037 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576194182 950331642 /nfs/dbraw/zinc/33/16/42/950331642.db2.gz XMCWOUCOYQDZOG-KBPBESRZSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576194182 950331665 /nfs/dbraw/zinc/33/16/65/950331665.db2.gz XMCWOUCOYQDZOG-KBPBESRZSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521738 950782242 /nfs/dbraw/zinc/78/22/42/950782242.db2.gz GUGBDOVOLRHAPF-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521738 950782253 /nfs/dbraw/zinc/78/22/53/950782253.db2.gz GUGBDOVOLRHAPF-HUUCEWRRSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574524380 950858154 /nfs/dbraw/zinc/85/81/54/950858154.db2.gz WBCVBYJIZAGJRP-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574524380 950858164 /nfs/dbraw/zinc/85/81/64/950858164.db2.gz WBCVBYJIZAGJRP-CABCVRRESA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576230159 950992220 /nfs/dbraw/zinc/99/22/20/950992220.db2.gz LHHCRAOVYOQQDX-JSGCOSHPSA-N 1 3 389.529 1.349 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575101202 951855886 /nfs/dbraw/zinc/85/58/86/951855886.db2.gz AXIBFTXBQHVVCE-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575101202 951855889 /nfs/dbraw/zinc/85/58/89/951855889.db2.gz AXIBFTXBQHVVCE-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575106652 951906630 /nfs/dbraw/zinc/90/66/30/951906630.db2.gz TZQKPXAJWVSVLU-OAHLLOKOSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575109935 951935292 /nfs/dbraw/zinc/93/52/92/951935292.db2.gz WBDYTMHDGSDIMO-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575109935 951935297 /nfs/dbraw/zinc/93/52/97/951935297.db2.gz WBDYTMHDGSDIMO-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575109935 951935302 /nfs/dbraw/zinc/93/53/02/951935302.db2.gz WBDYTMHDGSDIMO-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575109935 951935306 /nfs/dbraw/zinc/93/53/06/951935306.db2.gz WBDYTMHDGSDIMO-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575115775 951965827 /nfs/dbraw/zinc/96/58/27/951965827.db2.gz YTHOBZDEIZKNMJ-OAHLLOKOSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575115775 951965835 /nfs/dbraw/zinc/96/58/35/951965835.db2.gz YTHOBZDEIZKNMJ-OAHLLOKOSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@H](Cn1cc(Br)cn1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414973084 531464688 /nfs/dbraw/zinc/46/46/88/531464688.db2.gz KEEWVVTWDDIMRL-PWSUYJOCSA-N 1 3 384.244 1.460 20 0 GDADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000419956122 531990027 /nfs/dbraw/zinc/99/00/27/531990027.db2.gz NZYPECLZBMQXMZ-ZDUSSCGKSA-N 1 3 399.333 1.050 20 0 GDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000657572783 532010643 /nfs/dbraw/zinc/01/06/43/532010643.db2.gz GHBDINQQUWCHFR-ZDUSSCGKSA-N 1 3 376.954 1.349 20 0 GDADHO O=S(=O)(NCCC[NH2+]C1CCNCC1)c1ccccc1Br ZINC000423103599 532072939 /nfs/dbraw/zinc/07/29/39/532072939.db2.gz LIAJXLKEDVAZCM-UHFFFAOYSA-N 1 3 376.320 1.459 20 0 GDADHO C[C@@H]1CN(CCC2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000426830147 532172642 /nfs/dbraw/zinc/17/26/42/532172642.db2.gz VOTUWIOBEKJLLJ-IAGOWNOFSA-N 1 3 375.579 1.479 20 0 GDADHO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CC[C@@H](C[NH3+])C2)c1 ZINC000430964255 532258512 /nfs/dbraw/zinc/25/85/12/532258512.db2.gz YHJIKVIUDLFRQU-LBPRGKRZSA-N 1 3 388.921 1.200 20 0 GDADHO Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000737526147 598853706 /nfs/dbraw/zinc/85/37/06/598853706.db2.gz XDHQCLOKZKXBJQ-UHFFFAOYSA-N 1 3 381.488 1.665 20 0 GDADHO CN(C)C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000529389264 649942976 /nfs/dbraw/zinc/94/29/76/649942976.db2.gz VHMSSOXWLZHWQP-CZUORRHYSA-N 1 3 388.343 1.880 20 0 GDADHO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000824546258 609167530 /nfs/dbraw/zinc/16/75/30/609167530.db2.gz HZXNCHDKMHCPTL-KDOFPFPSSA-N 1 3 383.500 1.682 20 0 GDADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000627489520 653075816 /nfs/dbraw/zinc/07/58/16/653075816.db2.gz DRMPTKYUCIXLBZ-ABAIWWIYSA-N 1 3 387.311 1.533 20 0 GDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819004849 655383137 /nfs/dbraw/zinc/38/31/37/655383137.db2.gz UGEAXHYHWXBTTG-GDBMZVCRSA-N 1 3 384.318 1.660 20 0 GDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(C(=O)Nc3cccc(Br)c3)CC2)C1 ZINC000923311371 656544042 /nfs/dbraw/zinc/54/40/42/656544042.db2.gz WAKBIJDZFPEYFY-BPUTZDHNSA-N 1 3 382.302 1.950 20 0 GDADHO Cn1cc(CN2CC[C@H]3CN(c4nccc(N5CCC([NH3+])CC5)n4)C[C@@H]3C2)cn1 ZINC001164773400 721167057 /nfs/dbraw/zinc/16/70/57/721167057.db2.gz WYVXOMORPNJNEQ-ROUUACIJSA-N 1 3 396.543 1.096 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715735 949663373 /nfs/dbraw/zinc/66/33/73/949663373.db2.gz FZMQJQWXUNHTKD-NVXWUHKLSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574715735 949663385 /nfs/dbraw/zinc/66/33/85/949663385.db2.gz FZMQJQWXUNHTKD-NVXWUHKLSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715735 949663395 /nfs/dbraw/zinc/66/33/95/949663395.db2.gz FZMQJQWXUNHTKD-NVXWUHKLSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574715735 949663405 /nfs/dbraw/zinc/66/34/05/949663405.db2.gz FZMQJQWXUNHTKD-NVXWUHKLSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574716366 949689490 /nfs/dbraw/zinc/68/94/90/949689490.db2.gz KHPYCSXTEFZMGE-HNNXBMFYSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576181428 950008104 /nfs/dbraw/zinc/00/81/04/950008104.db2.gz IFKNMGWPBGPXDZ-MAUKXSAKSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576181428 950008122 /nfs/dbraw/zinc/00/81/22/950008122.db2.gz IFKNMGWPBGPXDZ-MAUKXSAKSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001575095995 951817771 /nfs/dbraw/zinc/81/77/71/951817771.db2.gz YGDMLFKRSQFNOT-KDOFPFPSSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104117 951880931 /nfs/dbraw/zinc/88/09/31/951880931.db2.gz BNPFEHPGOWRCRB-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104117 951880942 /nfs/dbraw/zinc/88/09/42/951880942.db2.gz BNPFEHPGOWRCRB-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104117 951880947 /nfs/dbraw/zinc/88/09/47/951880947.db2.gz BNPFEHPGOWRCRB-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104117 951880957 /nfs/dbraw/zinc/88/09/57/951880957.db2.gz BNPFEHPGOWRCRB-QAPCUYQASA-N 1 3 385.516 1.583 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000414755633 531462948 /nfs/dbraw/zinc/46/29/48/531462948.db2.gz HXNLKGPHYFEIHE-HNNXBMFYSA-N 1 3 384.318 1.441 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2cccc(Br)c2)C1 ZINC000414755633 531462952 /nfs/dbraw/zinc/46/29/52/531462952.db2.gz HXNLKGPHYFEIHE-HNNXBMFYSA-N 1 3 384.318 1.441 20 0 GDADHO Ic1cnc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000601325477 532060447 /nfs/dbraw/zinc/06/04/47/532060447.db2.gz CXKRRWFHNGEEFC-GFCCVEGCSA-N 1 3 387.269 1.203 20 0 GDADHO Cc1n[nH]c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1Br ZINC000050797217 644405349 /nfs/dbraw/zinc/40/53/49/644405349.db2.gz CTZDHTKIXQPSHT-UHFFFAOYSA-N 1 3 384.322 1.769 20 0 GDADHO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423101465 646114545 /nfs/dbraw/zinc/11/45/45/646114545.db2.gz CYJWODMBFOPONC-TZMCWYRMSA-N 1 3 390.347 1.753 20 0 GDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662494069 654297054 /nfs/dbraw/zinc/29/70/54/654297054.db2.gz VQXRIECLHLZYGQ-RHSMWYFYSA-N 1 3 397.361 1.839 20 0 GDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819004292 655383125 /nfs/dbraw/zinc/38/31/25/655383125.db2.gz NCCSFYZCDJKYAO-CJNGLKHVSA-N 1 3 384.318 1.660 20 0 GDADHO C[C@@H]1C[C@H](CN2CCC(n3nncc3I)CC2)CC[NH2+]1 ZINC000849352912 655522497 /nfs/dbraw/zinc/52/24/97/655522497.db2.gz SFKYPWQRUITBQG-VXGBXAGGSA-N 1 3 389.285 1.908 20 0 GDADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1sc(N2CCOCC2)nc1Cl ZINC000894260566 658528690 /nfs/dbraw/zinc/52/86/90/658528690.db2.gz MPUQVXQXKXJTTA-AWEZNQCLSA-N 1 3 388.965 1.960 20 0 GDADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1sc(N2CCOCC2)nc1Cl ZINC000894260566 658528699 /nfs/dbraw/zinc/52/86/99/658528699.db2.gz MPUQVXQXKXJTTA-AWEZNQCLSA-N 1 3 388.965 1.960 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CCNC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741333 720838239 /nfs/dbraw/zinc/83/82/39/720838239.db2.gz FCQISMPGRQLGID-WSTZPKSXSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4cc5c(nn4)CCNC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741333 720838241 /nfs/dbraw/zinc/83/82/41/720838241.db2.gz FCQISMPGRQLGID-WSTZPKSXSA-N 1 3 394.527 1.093 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574713533 949602830 /nfs/dbraw/zinc/60/28/30/949602830.db2.gz XWRYKPHHYIGSDR-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001576181426 950009459 /nfs/dbraw/zinc/00/94/59/950009459.db2.gz IFKNMGWPBGPXDZ-CRAIPNDOSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001576181426 950009477 /nfs/dbraw/zinc/00/94/77/950009477.db2.gz IFKNMGWPBGPXDZ-CRAIPNDOSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090687 951763855 /nfs/dbraw/zinc/76/38/55/951763855.db2.gz LDHQHJXVSZZHPF-HNNXBMFYSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090687 951763860 /nfs/dbraw/zinc/76/38/60/951763860.db2.gz LDHQHJXVSZZHPF-HNNXBMFYSA-N 1 3 385.516 1.441 20 0 GDADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104132 951881452 /nfs/dbraw/zinc/88/14/52/951881452.db2.gz BPCGEFNMXFDMIL-KSSFIOAISA-N 1 3 383.500 1.050 20 0 GDADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104132 951881460 /nfs/dbraw/zinc/88/14/60/951881460.db2.gz BPCGEFNMXFDMIL-KSSFIOAISA-N 1 3 383.500 1.050 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575107559 951918819 /nfs/dbraw/zinc/91/88/19/951918819.db2.gz FUSNPTZGPQVVFJ-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575107559 951918821 /nfs/dbraw/zinc/91/88/21/951918821.db2.gz FUSNPTZGPQVVFJ-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388348 1126135046 /nfs/dbraw/zinc/13/50/46/1126135046.db2.gz PFYAWTYBYSFWMS-VXIBKDFQSA-N 1 3 380.558 1.549 20 0 GDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388348 1126135047 /nfs/dbraw/zinc/13/50/47/1126135047.db2.gz PFYAWTYBYSFWMS-VXIBKDFQSA-N 1 3 380.558 1.549 20 0 GDADHO C[NH+](C)CCNC(=O)C1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189641899 530918212 /nfs/dbraw/zinc/91/82/12/530918212.db2.gz QSSIZLDKICRTJK-UHFFFAOYSA-N 1 3 375.382 1.590 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000120248153 530937505 /nfs/dbraw/zinc/93/75/05/530937505.db2.gz GCEISZJFPVCRFN-UHFFFAOYSA-N 1 3 388.310 1.105 20 0 GDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000414125047 531431170 /nfs/dbraw/zinc/43/11/70/531431170.db2.gz PXYMRYMLSZMVRW-GDBMZVCRSA-N 1 3 386.334 1.682 20 0 GDADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414379936 531445772 /nfs/dbraw/zinc/44/57/72/531445772.db2.gz NMQINYHYAYJLBQ-UHFFFAOYSA-N 1 3 375.922 1.312 20 0 GDADHO Cc1nn(-c2ccc(Br)cc2)cc1CNCCN1CC[NH2+]CC1 ZINC000414871723 531463791 /nfs/dbraw/zinc/46/37/91/531463791.db2.gz VKEOSOQXIRZFLE-UHFFFAOYSA-N 1 3 378.318 1.938 20 0 GDADHO O=C(Nc1ccc(Br)cn1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000584532809 531623931 /nfs/dbraw/zinc/62/39/31/531623931.db2.gz HAQZYAXXERLCKY-UHFFFAOYSA-N 1 3 396.333 1.400 20 0 GDADHO Cc1cc(Br)cn2cc(CCNC[C@H](O)C[N@@H+](C)C3CC3)nc12 ZINC000564873322 531869065 /nfs/dbraw/zinc/86/90/65/531869065.db2.gz NAUMBEINQPFICL-INIZCTEOSA-N 1 3 381.318 1.992 20 0 GDADHO Cc1cc(Br)cn2cc(CCNC[C@H](O)C[N@H+](C)C3CC3)nc12 ZINC000564873322 531869069 /nfs/dbraw/zinc/86/90/69/531869069.db2.gz NAUMBEINQPFICL-INIZCTEOSA-N 1 3 381.318 1.992 20 0 GDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cncc(Br)c1 ZINC000565845290 650817618 /nfs/dbraw/zinc/81/76/18/650817618.db2.gz SYUUFGPGLCGQNP-OAHLLOKOSA-N 1 3 385.350 1.885 20 0 GDADHO COC[C@@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000423098922 646113808 /nfs/dbraw/zinc/11/38/08/646113808.db2.gz DKGWORRLVMUJSE-LLVKDONJSA-N 1 3 384.329 1.615 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000516114739 648513529 /nfs/dbraw/zinc/51/35/29/648513529.db2.gz UXRIFDASNVCDCU-CHWSQXEVSA-N 1 3 386.436 1.761 20 0 GDADHO CSc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Cl ZINC000572700239 651102695 /nfs/dbraw/zinc/10/26/95/651102695.db2.gz PKCXYHIAMMJIKI-UHFFFAOYSA-N 1 3 386.949 1.952 20 0 GDADHO Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CN3CCCC3)nc12 ZINC000629574780 653174791 /nfs/dbraw/zinc/17/47/91/653174791.db2.gz PHOVUKYIAACGCA-INIZCTEOSA-N 1 3 381.318 1.994 20 0 GDADHO CC(C)[C@H](CNC(=O)[C@H](N)c1ccccc1Br)[NH+]1CCN(C)CC1 ZINC000662479399 654296096 /nfs/dbraw/zinc/29/60/96/654296096.db2.gz HWFNXUFDAZWCMB-DLBZAZTESA-N 1 3 397.361 1.837 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870856350 656250472 /nfs/dbraw/zinc/25/04/72/656250472.db2.gz VZLGOJKYBLQIAG-JKSUJKDBSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000870856350 656250476 /nfs/dbraw/zinc/25/04/76/656250476.db2.gz VZLGOJKYBLQIAG-JKSUJKDBSA-N 1 3 384.318 1.922 20 0 GDADHO C[C@H](CNC(=O)[C@@H](N)c1ccc(Br)cc1)C[NH+]1CCN(C)CC1 ZINC000884234642 657338506 /nfs/dbraw/zinc/33/85/06/657338506.db2.gz AEPVUMGCSPBGFS-CJNGLKHVSA-N 1 3 383.334 1.449 20 0 GDADHO CCCN1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000899860647 659062260 /nfs/dbraw/zinc/06/22/60/659062260.db2.gz LPTVNNWHUAFEPR-MRXNPFEDSA-N 1 3 375.579 1.452 20 0 GDADHO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164764047 721160246 /nfs/dbraw/zinc/16/02/46/721160246.db2.gz GQUMFGFICVVMBQ-UXHICEINSA-N 1 3 395.555 1.525 20 0 GDADHO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CCN(C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164764047 721160254 /nfs/dbraw/zinc/16/02/54/721160254.db2.gz GQUMFGFICVVMBQ-UXHICEINSA-N 1 3 395.555 1.525 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957032 949597421 /nfs/dbraw/zinc/59/74/21/949597421.db2.gz QNDNCRXNDQQRIM-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957032 949597435 /nfs/dbraw/zinc/59/74/35/949597435.db2.gz QNDNCRXNDQQRIM-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957032 949597448 /nfs/dbraw/zinc/59/74/48/949597448.db2.gz QNDNCRXNDQQRIM-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574957032 949597464 /nfs/dbraw/zinc/59/74/64/949597464.db2.gz QNDNCRXNDQQRIM-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271362 949620320 /nfs/dbraw/zinc/62/03/20/949620320.db2.gz JWMKPICFWLPRLV-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575271362 949620328 /nfs/dbraw/zinc/62/03/28/949620328.db2.gz JWMKPICFWLPRLV-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271362 949620334 /nfs/dbraw/zinc/62/03/34/949620334.db2.gz JWMKPICFWLPRLV-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575271362 949620339 /nfs/dbraw/zinc/62/03/39/949620339.db2.gz JWMKPICFWLPRLV-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716858 949715485 /nfs/dbraw/zinc/71/54/85/949715485.db2.gz RLPHURBRZUGJRC-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574716858 949715509 /nfs/dbraw/zinc/71/55/09/949715509.db2.gz RLPHURBRZUGJRC-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716858 949715527 /nfs/dbraw/zinc/71/55/27/949715527.db2.gz RLPHURBRZUGJRC-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574716858 949715550 /nfs/dbraw/zinc/71/55/50/949715550.db2.gz RLPHURBRZUGJRC-ZFWWWQNUSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576171814 949783461 /nfs/dbraw/zinc/78/34/61/949783461.db2.gz SVCPZTGQVOKRHP-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576171814 949783477 /nfs/dbraw/zinc/78/34/77/949783477.db2.gz SVCPZTGQVOKRHP-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001576180095 949941472 /nfs/dbraw/zinc/94/14/72/949941472.db2.gz BXTQEOPXOJVZEJ-NVXWUHKLSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001576180095 949941497 /nfs/dbraw/zinc/94/14/97/949941497.db2.gz BXTQEOPXOJVZEJ-NVXWUHKLSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205856 950543983 /nfs/dbraw/zinc/54/39/83/950543983.db2.gz QMWKTTNKMMHTHB-XQJDBVBESA-N 1 3 375.502 1.032 20 0 GDADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001576205856 950543999 /nfs/dbraw/zinc/54/39/99/950543999.db2.gz QMWKTTNKMMHTHB-XQJDBVBESA-N 1 3 375.502 1.032 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574523470 950817898 /nfs/dbraw/zinc/81/78/98/950817898.db2.gz NWGUFBWTYFTSAC-CHWSQXEVSA-N 1 3 391.545 1.785 20 0 GDADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574523470 950817917 /nfs/dbraw/zinc/81/79/17/950817917.db2.gz NWGUFBWTYFTSAC-CHWSQXEVSA-N 1 3 391.545 1.785 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089109 951745467 /nfs/dbraw/zinc/74/54/67/951745467.db2.gz DMEDKNVHJQQPSS-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575089109 951745475 /nfs/dbraw/zinc/74/54/75/951745475.db2.gz DMEDKNVHJQQPSS-KBPBESRZSA-N 1 3 389.479 1.190 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575093880 951801544 /nfs/dbraw/zinc/80/15/44/951801544.db2.gz LHVMISQYJZPPFR-OAHLLOKOSA-N 1 3 383.500 1.432 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001571234597 953203913 /nfs/dbraw/zinc/20/39/13/953203913.db2.gz CVKHNANJDLJYEX-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001571234597 953203916 /nfs/dbraw/zinc/20/39/16/953203916.db2.gz CVKHNANJDLJYEX-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001571234597 953203919 /nfs/dbraw/zinc/20/39/19/953203919.db2.gz CVKHNANJDLJYEX-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001571234597 953203922 /nfs/dbraw/zinc/20/39/22/953203922.db2.gz CVKHNANJDLJYEX-KRWDZBQOSA-N 1 3 383.500 1.289 20 0 GDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC000922394512 1126135396 /nfs/dbraw/zinc/13/53/96/1126135396.db2.gz WWLMJSKGUUCQOJ-SOAMZJECSA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC000922394512 1126135398 /nfs/dbraw/zinc/13/53/98/1126135398.db2.gz WWLMJSKGUUCQOJ-SOAMZJECSA-N 1 3 394.585 1.939 20 0 GDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388351 1126134853 /nfs/dbraw/zinc/13/48/53/1126134853.db2.gz PFYAWTYBYSFWMS-VXNCWWDNSA-N 1 3 380.558 1.549 20 0 GDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388351 1126134860 /nfs/dbraw/zinc/13/48/60/1126134860.db2.gz PFYAWTYBYSFWMS-VXNCWWDNSA-N 1 3 380.558 1.549 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000428232946 532201357 /nfs/dbraw/zinc/20/13/57/532201357.db2.gz PNXBJEHCYKWHIU-KBPBESRZSA-N 1 3 399.333 1.176 20 0 GDADHO COCC[N@@H+]1CCCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000564929470 650773011 /nfs/dbraw/zinc/77/30/11/650773011.db2.gz SDVGGPROQLLNSH-KRWDZBQOSA-N 1 3 384.318 1.804 20 0 GDADHO COCC[N@H+]1CCCN(C(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1 ZINC000564929470 650773016 /nfs/dbraw/zinc/77/30/16/650773016.db2.gz SDVGGPROQLLNSH-KRWDZBQOSA-N 1 3 384.318 1.804 20 0 GDADHO CN(C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000581939195 651980416 /nfs/dbraw/zinc/98/04/16/651980416.db2.gz PKULOWICULENHB-KRWDZBQOSA-N 1 3 398.345 1.830 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)C1 ZINC000634997112 653503919 /nfs/dbraw/zinc/50/39/19/653503919.db2.gz CZMZNRMVOCKTDI-PZLGEANOSA-N 1 3 378.314 1.874 20 0 GDADHO CCN1CC[NH+](CCCCNC(=O)[C@H](N)c2ccccc2Br)CC1 ZINC000662755985 654301901 /nfs/dbraw/zinc/30/19/01/654301901.db2.gz GEWZZKHMDJXFDN-QGZVFWFLSA-N 1 3 397.361 1.983 20 0 GDADHO Cn1nc(Br)cc1CNCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000785422373 654917083 /nfs/dbraw/zinc/91/70/83/654917083.db2.gz NMTTYOLEVNURPM-UHFFFAOYSA-N 1 3 379.306 1.619 20 0 GDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819004259 655383170 /nfs/dbraw/zinc/38/31/70/655383170.db2.gz LXXQVAMMKKHZPD-GOEBONIOSA-N 1 3 384.318 1.660 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(Br)ccc1F ZINC000855346393 655692446 /nfs/dbraw/zinc/69/24/46/655692446.db2.gz AAJIDRBUUJFWHH-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(Br)ccc1F ZINC000855346393 655692448 /nfs/dbraw/zinc/69/24/48/655692448.db2.gz AAJIDRBUUJFWHH-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO Cn1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)c(Br)n1 ZINC000858117134 655744642 /nfs/dbraw/zinc/74/46/42/655744642.db2.gz ARERCUURLVKDQG-UHFFFAOYSA-N 1 3 393.333 1.880 20 0 GDADHO [NH3+][C@@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227840 657337271 /nfs/dbraw/zinc/33/72/71/657337271.db2.gz ZEURQKOBHSMRCM-CZUORRHYSA-N 1 3 382.302 1.630 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4cc5c(nn4)CCNC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164741331 720838131 /nfs/dbraw/zinc/83/81/31/720838131.db2.gz FCQISMPGRQLGID-CMKODMSKSA-N 1 3 394.527 1.093 20 0 GDADHO c1ncn(C[C@@H]2C[C@H]3CN(c4cc5c(nn4)CCNC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164741331 720838133 /nfs/dbraw/zinc/83/81/33/720838133.db2.gz FCQISMPGRQLGID-CMKODMSKSA-N 1 3 394.527 1.093 20 0 GDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571282532 945850279 /nfs/dbraw/zinc/85/02/79/945850279.db2.gz JQAMTNSAPWSTKE-HUUCEWRRSA-N 1 3 387.463 1.038 20 0 GDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571282532 945850292 /nfs/dbraw/zinc/85/02/92/945850292.db2.gz JQAMTNSAPWSTKE-HUUCEWRRSA-N 1 3 387.463 1.038 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574711146 949526625 /nfs/dbraw/zinc/52/66/25/949526625.db2.gz DQIDBZOLXRUIBF-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574711146 949526634 /nfs/dbraw/zinc/52/66/34/949526634.db2.gz DQIDBZOLXRUIBF-RDTXWAMCSA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001576192553 950251929 /nfs/dbraw/zinc/25/19/29/950251929.db2.gz NODYQCCALUPEDN-CQSZACIVSA-N 1 3 391.545 1.597 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575091261 951771283 /nfs/dbraw/zinc/77/12/83/951771283.db2.gz PHVFYKQYPCEAFU-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575091261 951771291 /nfs/dbraw/zinc/77/12/91/951771291.db2.gz PHVFYKQYPCEAFU-GZBFAFLISA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575095729 951812510 /nfs/dbraw/zinc/81/25/10/951812510.db2.gz WBHUZRYWGBSESZ-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575095729 951812517 /nfs/dbraw/zinc/81/25/17/951812517.db2.gz WBHUZRYWGBSESZ-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001575101717 951863074 /nfs/dbraw/zinc/86/30/74/951863074.db2.gz IVAPWXOJSKDHFD-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001575101724 951863890 /nfs/dbraw/zinc/86/38/90/951863890.db2.gz IVYSFRVFWHYSLL-CYBMUJFWSA-N 1 3 387.463 1.038 20 0 GDADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)[NH+](C)C ZINC001575103874 951879894 /nfs/dbraw/zinc/87/98/94/951879894.db2.gz WWONKVJBBLVQII-GUYCJALGSA-N 1 3 391.495 1.434 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575106752 951907329 /nfs/dbraw/zinc/90/73/29/951907329.db2.gz UHFIFMBCPOZMCQ-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575106752 951907332 /nfs/dbraw/zinc/90/73/32/951907332.db2.gz UHFIFMBCPOZMCQ-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001575106752 951907335 /nfs/dbraw/zinc/90/73/35/951907335.db2.gz UHFIFMBCPOZMCQ-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001575106752 951907340 /nfs/dbraw/zinc/90/73/40/951907340.db2.gz UHFIFMBCPOZMCQ-UMVBOHGHSA-N 1 3 389.479 1.283 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000130592557 531061952 /nfs/dbraw/zinc/06/19/52/531061952.db2.gz CXSWSFJXLOARFF-UHFFFAOYSA-N 1 3 375.300 1.884 20 0 GDADHO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457466 531228936 /nfs/dbraw/zinc/22/89/36/531228936.db2.gz OHOIKBCAFYYVPT-QWHCGFSZSA-N 1 3 388.452 1.864 20 0 GDADHO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1 ZINC000520457466 531228940 /nfs/dbraw/zinc/22/89/40/531228940.db2.gz OHOIKBCAFYYVPT-QWHCGFSZSA-N 1 3 388.452 1.864 20 0 GDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000666090212 531747183 /nfs/dbraw/zinc/74/71/83/531747183.db2.gz MPQAJJFSRRCQSE-GOEBONIOSA-N 1 3 397.361 1.757 20 0 GDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423109791 532072250 /nfs/dbraw/zinc/07/22/50/532072250.db2.gz UXJLBBZZGIKJNV-ZKYQVNSYSA-N 1 3 379.885 1.099 20 0 GDADHO C[N@H+](C[C@@H](O)CNC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716652 650809853 /nfs/dbraw/zinc/80/98/53/650809853.db2.gz KIMFZIBXJJUBBC-ZFWWWQNUSA-N 1 3 389.309 1.784 20 0 GDADHO C[N@@H+](C[C@@H](O)CNC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CC1 ZINC000565716652 650809855 /nfs/dbraw/zinc/80/98/55/650809855.db2.gz KIMFZIBXJJUBBC-ZFWWWQNUSA-N 1 3 389.309 1.784 20 0 GDADHO Cc1c(Br)cccc1C[C@H](CO)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567873440 650926266 /nfs/dbraw/zinc/92/62/66/650926266.db2.gz VVTPWNQBFICBOM-WMLDXEAASA-N 1 3 385.346 1.953 20 0 GDADHO Cc1c(Br)cccc1C[C@H](CO)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000567873440 650926267 /nfs/dbraw/zinc/92/62/67/650926267.db2.gz VVTPWNQBFICBOM-WMLDXEAASA-N 1 3 385.346 1.953 20 0 GDADHO CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000516114740 648513468 /nfs/dbraw/zinc/51/34/68/648513468.db2.gz UXRIFDASNVCDCU-OLZOCXBDSA-N 1 3 386.436 1.761 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(F)ccc1Br ZINC000855346437 655692465 /nfs/dbraw/zinc/69/24/65/655692465.db2.gz CDTRQTOVKMSIHM-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(F)ccc1Br ZINC000855346437 655692466 /nfs/dbraw/zinc/69/24/66/655692466.db2.gz CDTRQTOVKMSIHM-NSHDSACASA-N 1 3 375.286 1.985 20 0 GDADHO N[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000870945682 656258329 /nfs/dbraw/zinc/25/83/29/656258329.db2.gz MIYRHQDJOPMGEU-JCYILVPMSA-N 1 3 395.345 1.782 20 0 GDADHO N[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000870945682 656258336 /nfs/dbraw/zinc/25/83/36/656258336.db2.gz MIYRHQDJOPMGEU-JCYILVPMSA-N 1 3 395.345 1.782 20 0 GDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000923321685 656544434 /nfs/dbraw/zinc/54/44/34/656544434.db2.gz OQXISFHUTINIGP-PYJNHQTQSA-N 1 3 383.290 1.345 20 0 GDADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3c(nn2)CCNC3)CC1 ZINC001164834340 720327987 /nfs/dbraw/zinc/32/79/87/720327987.db2.gz ZMSQGRVQOUPCFZ-MOPGFXCFSA-N 1 3 384.528 1.034 20 0 GDADHO Cn1ccc2c1ncnc2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886699 721391528 /nfs/dbraw/zinc/39/15/28/721391528.db2.gz FMXUZFIABQLNPG-UTKZUKDTSA-N 1 3 384.528 1.734 20 0 GDADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574703167 949312664 /nfs/dbraw/zinc/31/26/64/949312664.db2.gz SHSYMKXBLZJVQR-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574712473 949580659 /nfs/dbraw/zinc/58/06/59/949580659.db2.gz SMXQXUBPZIEYQE-ZDUSSCGKSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574740261 950222671 /nfs/dbraw/zinc/22/26/71/950222671.db2.gz CYUYQZWTSFCYLO-PMPSAXMXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574740261 950222686 /nfs/dbraw/zinc/22/26/86/950222686.db2.gz CYUYQZWTSFCYLO-PMPSAXMXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574740261 950222702 /nfs/dbraw/zinc/22/27/02/950222702.db2.gz CYUYQZWTSFCYLO-PMPSAXMXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574740261 950222717 /nfs/dbraw/zinc/22/27/17/950222717.db2.gz CYUYQZWTSFCYLO-PMPSAXMXSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C[NH+]1CCCC1 ZINC001575905789 950302853 /nfs/dbraw/zinc/30/28/53/950302853.db2.gz FMZSIWMQTXRZEG-GXTWGEPZSA-N 1 3 375.502 1.103 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574523471 950819511 /nfs/dbraw/zinc/81/95/11/950819511.db2.gz NWGUFBWTYFTSAC-OLZOCXBDSA-N 1 3 391.545 1.785 20 0 GDADHO C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574523471 950819527 /nfs/dbraw/zinc/81/95/27/950819527.db2.gz NWGUFBWTYFTSAC-OLZOCXBDSA-N 1 3 391.545 1.785 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575093767 951800637 /nfs/dbraw/zinc/80/06/37/951800637.db2.gz KFMSIWGKVFCCFQ-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104126 951881889 /nfs/dbraw/zinc/88/18/89/951881889.db2.gz BPCGEFNMXFDMIL-KBXCAEBGSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104126 951881897 /nfs/dbraw/zinc/88/18/97/951881897.db2.gz BPCGEFNMXFDMIL-KBXCAEBGSA-N 1 3 383.500 1.050 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104114 951882699 /nfs/dbraw/zinc/88/26/99/951882699.db2.gz BNPFEHPGOWRCRB-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575104114 951882707 /nfs/dbraw/zinc/88/27/07/951882707.db2.gz BNPFEHPGOWRCRB-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104114 951882716 /nfs/dbraw/zinc/88/27/16/951882716.db2.gz BNPFEHPGOWRCRB-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575104114 951882723 /nfs/dbraw/zinc/88/27/23/951882723.db2.gz BNPFEHPGOWRCRB-CRAIPNDOSA-N 1 3 385.516 1.583 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@@H+]1C ZINC001571235174 953209441 /nfs/dbraw/zinc/20/94/41/953209441.db2.gz VYVOYHZRZVIQSH-ZTFGCOKTSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)CC[N@H+]1C ZINC001571235174 953209444 /nfs/dbraw/zinc/20/94/44/953209444.db2.gz VYVOYHZRZVIQSH-ZTFGCOKTSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@@H+]1C ZINC001571235174 953209448 /nfs/dbraw/zinc/20/94/48/953209448.db2.gz VYVOYHZRZVIQSH-ZTFGCOKTSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)CC[N@H+]1C ZINC001571235174 953209450 /nfs/dbraw/zinc/20/94/50/953209450.db2.gz VYVOYHZRZVIQSH-ZTFGCOKTSA-N 1 3 383.500 1.288 20 0 GDADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388353 1126134883 /nfs/dbraw/zinc/13/48/83/1126134883.db2.gz PFYAWTYBYSFWMS-YWTNHNAXSA-N 1 3 380.558 1.549 20 0 GDADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(N3CCOCC3)s1)C2 ZINC000922388353 1126134887 /nfs/dbraw/zinc/13/48/87/1126134887.db2.gz PFYAWTYBYSFWMS-YWTNHNAXSA-N 1 3 380.558 1.549 20 0 GDADHO C[C@@H](Cn1cc(Br)cn1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414973082 531463846 /nfs/dbraw/zinc/46/38/46/531463846.db2.gz KEEWVVTWDDIMRL-JQWIXIFHSA-N 1 3 384.244 1.460 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(I)cn1 ZINC000556634059 531500274 /nfs/dbraw/zinc/50/02/74/531500274.db2.gz VRCDUESBZQPDQC-UHFFFAOYSA-N 1 3 390.269 1.252 20 0 GDADHO CN(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000627102787 531944544 /nfs/dbraw/zinc/94/45/44/531944544.db2.gz TWRNSIOTSFPYCI-WFASDCNBSA-N 1 3 375.300 1.884 20 0 GDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000422905698 532069159 /nfs/dbraw/zinc/06/91/59/532069159.db2.gz ISZDCGAAZNSYRV-BNOWGMLFSA-N 1 3 376.238 1.500 20 0 GDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)C1 ZINC000736225334 598523165 /nfs/dbraw/zinc/52/31/65/598523165.db2.gz BNMXSDGCOQRQJO-OAGGEKHMSA-N 1 3 387.536 1.453 20 0 GDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C1 ZINC000736225334 598523166 /nfs/dbraw/zinc/52/31/66/598523166.db2.gz BNMXSDGCOQRQJO-OAGGEKHMSA-N 1 3 387.536 1.453 20 0 GDADHO CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736529910 599609262 /nfs/dbraw/zinc/60/92/62/599609262.db2.gz BIFYYESWVOTPLR-UHFFFAOYSA-N 1 3 399.543 1.927 20 0 GDADHO CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736529910 599609264 /nfs/dbraw/zinc/60/92/64/599609264.db2.gz BIFYYESWVOTPLR-UHFFFAOYSA-N 1 3 399.543 1.927 20 0 GDADHO C[C@H]([NH2+][C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000824546259 609167599 /nfs/dbraw/zinc/16/75/99/609167599.db2.gz HZXNCHDKMHCPTL-KSSFIOAISA-N 1 3 383.500 1.682 20 0 GDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Br ZINC000423101142 646114612 /nfs/dbraw/zinc/11/46/12/646114612.db2.gz IEPLRUMKZCFPPD-OCCSQVGLSA-N 1 3 390.347 1.835 20 0 GDADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(F)cc1F ZINC000502657956 648167535 /nfs/dbraw/zinc/16/75/35/648167535.db2.gz CDPDKPZLRKNWGG-UHFFFAOYSA-N 1 3 379.448 1.750 20 0 GDADHO C[N@H+](C[C@H](O)CNCCc1ccc(I)s1)C1CC1 ZINC000517358633 648565270 /nfs/dbraw/zinc/56/52/70/648565270.db2.gz HKVKKBBOUPBGSV-LLVKDONJSA-N 1 3 380.295 1.940 20 0 GDADHO C[N@@H+](C[C@H](O)CNCCc1ccc(I)s1)C1CC1 ZINC000517358633 648565275 /nfs/dbraw/zinc/56/52/75/648565275.db2.gz HKVKKBBOUPBGSV-LLVKDONJSA-N 1 3 380.295 1.940 20 0 GDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000656791200 654054173 /nfs/dbraw/zinc/05/41/73/654054173.db2.gz VXVFSHSXYRYVEW-OAHLLOKOSA-N 1 3 395.345 1.768 20 0 GDADHO CC(C)C[C@H](CN)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959522 655363087 /nfs/dbraw/zinc/36/30/87/655363087.db2.gz SIYIDGGGVMHWDL-UKRRQHHQSA-N 1 3 391.559 1.436 20 0 GDADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1cc(Br)no1 ZINC000878311292 656718047 /nfs/dbraw/zinc/71/80/47/656718047.db2.gz HHWVZTMFLOYOAN-ZDUSSCGKSA-N 1 3 375.311 1.428 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cccc(Br)c1 ZINC000912304466 660032562 /nfs/dbraw/zinc/03/25/62/660032562.db2.gz QBONPJVKZMGYML-BBRMVZONSA-N 1 3 386.334 1.871 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cccc(Br)c1 ZINC000912304466 660032564 /nfs/dbraw/zinc/03/25/64/660032564.db2.gz QBONPJVKZMGYML-BBRMVZONSA-N 1 3 386.334 1.871 20 0 GDADHO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3c(nn2)CCNC3)CC1 ZINC001164834343 720327809 /nfs/dbraw/zinc/32/78/09/720327809.db2.gz ZMSQGRVQOUPCFZ-OALUTQOASA-N 1 3 384.528 1.034 20 0 GDADHO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CCN3C2)c1 ZINC001164867509 721044488 /nfs/dbraw/zinc/04/44/88/721044488.db2.gz JICINQRIQSFRPA-QZTJIDSGSA-N 1 3 380.496 1.040 20 0 GDADHO C(C1CC1)[N@H+]1C[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@@H](C1)O2 ZINC001164966584 722075571 /nfs/dbraw/zinc/07/55/71/722075571.db2.gz CJAMJUJYVFKWCY-HDICACEKSA-N 1 3 399.543 1.371 20 0 GDADHO C(C1CC1)[N@@H+]1C[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)C[C@@H](C1)O2 ZINC001164966584 722075573 /nfs/dbraw/zinc/07/55/73/722075573.db2.gz CJAMJUJYVFKWCY-HDICACEKSA-N 1 3 399.543 1.371 20 0 GDADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824413636 946698193 /nfs/dbraw/zinc/69/81/93/946698193.db2.gz NYBRAFHZZABPMU-KRWDZBQOSA-N 1 3 398.559 1.057 20 0 GDADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574713530 949604750 /nfs/dbraw/zinc/60/47/50/949604750.db2.gz XWRYKPHHYIGSDR-KSSFIOAISA-N 1 3 383.500 1.145 20 0 GDADHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574716367 949690100 /nfs/dbraw/zinc/69/01/00/949690100.db2.gz KHPYCSXTEFZMGE-OAHLLOKOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576171201 949753616 /nfs/dbraw/zinc/75/36/16/949753616.db2.gz PKRDFWRCMXFAJF-CRAIPNDOSA-N 1 3 385.516 1.535 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964135 949765175 /nfs/dbraw/zinc/76/51/75/949765175.db2.gz QQYIVBPKSMQYLC-XHSDSOJGSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964135 949765186 /nfs/dbraw/zinc/76/51/86/949765186.db2.gz QQYIVBPKSMQYLC-XHSDSOJGSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964135 949765196 /nfs/dbraw/zinc/76/51/96/949765196.db2.gz QQYIVBPKSMQYLC-XHSDSOJGSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574964135 949765207 /nfs/dbraw/zinc/76/52/07/949765207.db2.gz QQYIVBPKSMQYLC-XHSDSOJGSA-N 1 3 385.516 1.534 20 0 GDADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574718573 949786920 /nfs/dbraw/zinc/78/69/20/949786920.db2.gz ZLDKHFRGWOWEDG-CYBMUJFWSA-N 1 3 377.468 1.284 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001576182083 950032640 /nfs/dbraw/zinc/03/26/40/950032640.db2.gz KZTZYOWBWQMONZ-CRAIPNDOSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001576182083 950032653 /nfs/dbraw/zinc/03/26/53/950032653.db2.gz KZTZYOWBWQMONZ-CRAIPNDOSA-N 1 3 385.516 1.393 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576194189 950333572 /nfs/dbraw/zinc/33/35/72/950333572.db2.gz XMCWOUCOYQDZOG-ZIAGYGMSSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576194189 950333592 /nfs/dbraw/zinc/33/35/92/950333592.db2.gz XMCWOUCOYQDZOG-ZIAGYGMSSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574524197 950849886 /nfs/dbraw/zinc/84/98/86/950849886.db2.gz UVYQACIQUTXXKZ-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574524197 950849900 /nfs/dbraw/zinc/84/99/00/950849900.db2.gz UVYQACIQUTXXKZ-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077279 951665679 /nfs/dbraw/zinc/66/56/79/951665679.db2.gz BXJLVFVQESEZEZ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077279 951665687 /nfs/dbraw/zinc/66/56/87/951665687.db2.gz BXJLVFVQESEZEZ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077279 951665691 /nfs/dbraw/zinc/66/56/91/951665691.db2.gz BXJLVFVQESEZEZ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077279 951665704 /nfs/dbraw/zinc/66/57/04/951665704.db2.gz BXJLVFVQESEZEZ-XJKCOSOUSA-N 1 3 389.479 1.188 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575105453 951893496 /nfs/dbraw/zinc/89/34/96/951893496.db2.gz JVVXYXOGBFFSBT-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575105453 951893501 /nfs/dbraw/zinc/89/35/01/951893501.db2.gz JVVXYXOGBFFSBT-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001575105453 951893508 /nfs/dbraw/zinc/89/35/08/951893508.db2.gz JVVXYXOGBFFSBT-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001575105453 951893514 /nfs/dbraw/zinc/89/35/14/951893514.db2.gz JVVXYXOGBFFSBT-HIFRSBDPSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575107683 951920741 /nfs/dbraw/zinc/92/07/41/951920741.db2.gz HSJZTLSMUFCVFG-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001575107683 951920760 /nfs/dbraw/zinc/92/07/60/951920760.db2.gz HSJZTLSMUFCVFG-MRXNPFEDSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575109930 951935426 /nfs/dbraw/zinc/93/54/26/951935426.db2.gz WBDYTMHDGSDIMO-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575109930 951935429 /nfs/dbraw/zinc/93/54/29/951935429.db2.gz WBDYTMHDGSDIMO-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001575109930 951935431 /nfs/dbraw/zinc/93/54/31/951935431.db2.gz WBDYTMHDGSDIMO-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001575109930 951935434 /nfs/dbraw/zinc/93/54/34/951935434.db2.gz WBDYTMHDGSDIMO-CRAIPNDOSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571235074 953208388 /nfs/dbraw/zinc/20/83/88/953208388.db2.gz RTVGLSLOGGURIB-DJIMGWMZSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571235074 953208392 /nfs/dbraw/zinc/20/83/92/953208392.db2.gz RTVGLSLOGGURIB-DJIMGWMZSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571235074 953208393 /nfs/dbraw/zinc/20/83/93/953208393.db2.gz RTVGLSLOGGURIB-DJIMGWMZSA-N 1 3 383.500 1.288 20 0 GDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571235074 953208397 /nfs/dbraw/zinc/20/83/97/953208397.db2.gz RTVGLSLOGGURIB-DJIMGWMZSA-N 1 3 383.500 1.288 20 0 GDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC000922394510 1126135304 /nfs/dbraw/zinc/13/53/04/1126135304.db2.gz WWLMJSKGUUCQOJ-MLYOOKFZSA-N 1 3 394.585 1.939 20 0 GDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(N4CCOCC4)s3)C2)[C@H]1C(C)C ZINC000922394510 1126135306 /nfs/dbraw/zinc/13/53/06/1126135306.db2.gz WWLMJSKGUUCQOJ-MLYOOKFZSA-N 1 3 394.585 1.939 20 0 GDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc(N3CCOCC3)s1)[C@@H](O)C2 ZINC001550423595 1126206757 /nfs/dbraw/zinc/20/67/57/1126206757.db2.gz PFYAWTYBYSFWMS-DFEOGRTESA-N 1 3 380.558 1.549 20 0 GDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc(N3CCOCC3)s1)[C@@H](O)C2 ZINC001550423595 1126206759 /nfs/dbraw/zinc/20/67/59/1126206759.db2.gz PFYAWTYBYSFWMS-DFEOGRTESA-N 1 3 380.558 1.549 20 0 GDADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](CO)c1cccc(Br)c1 ZINC000414715621 531462860 /nfs/dbraw/zinc/46/28/60/531462860.db2.gz YWIGRZHXXIWIIM-CZUORRHYSA-N 1 3 384.318 1.612 20 0 GDADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](CO)c1cccc(Br)c1 ZINC000414715621 531462862 /nfs/dbraw/zinc/46/28/62/531462862.db2.gz YWIGRZHXXIWIIM-CZUORRHYSA-N 1 3 384.318 1.612 20 0 GDADHO COc1nc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)ncc1Br ZINC000414738835 531463028 /nfs/dbraw/zinc/46/30/28/531463028.db2.gz FLTZZKASUVIPRY-STQMWFEESA-N 1 3 384.322 1.758 20 0 GDADHO C(CN1CCS[C@@H]2COCC[C@@H]21)OCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000366372483 531742789 /nfs/dbraw/zinc/74/27/89/531742789.db2.gz RRBABBTXQKZXRY-WNRNVDISSA-N 1 3 388.599 1.416 20 0 GDADHO C(CN1CCS[C@@H]2COCC[C@@H]21)OCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000366372483 531742797 /nfs/dbraw/zinc/74/27/97/531742797.db2.gz RRBABBTXQKZXRY-WNRNVDISSA-N 1 3 388.599 1.416 20 0 GDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422883766 532069546 /nfs/dbraw/zinc/06/95/46/532069546.db2.gz VNAKETIROYBWFT-RCBQFDQVSA-N 1 3 384.318 1.911 20 0 GDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108109 532071781 /nfs/dbraw/zinc/07/17/81/532071781.db2.gz SSXDJTGGLASJGY-YDHLFZDLSA-N 1 3 375.922 1.350 20 0 GDADHO C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CCN1 ZINC000627489521 653075768 /nfs/dbraw/zinc/07/57/68/653075768.db2.gz DRMPTKYUCIXLBZ-IAQYHMDHSA-N 1 3 387.311 1.533 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(=O)n(C)cc1Br ZINC000824826743 655481124 /nfs/dbraw/zinc/48/11/24/655481124.db2.gz OJIXTDBRKRNDTM-LBPRGKRZSA-N 1 3 387.322 1.150 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(=O)n(C)cc1Br ZINC000824826743 655481125 /nfs/dbraw/zinc/48/11/25/655481125.db2.gz OJIXTDBRKRNDTM-LBPRGKRZSA-N 1 3 387.322 1.150 20 0 GDADHO Cn1ncc(I)c1CNCCCN1CCC[N@H+](C)CC1 ZINC000894375519 658547310 /nfs/dbraw/zinc/54/73/10/658547310.db2.gz MAAKKPMMOFHESP-UHFFFAOYSA-N 1 3 391.301 1.142 20 0 GDADHO Cn1ncc(I)c1CNCCCN1CCC[N@@H+](C)CC1 ZINC000894375519 658547315 /nfs/dbraw/zinc/54/73/15/658547315.db2.gz MAAKKPMMOFHESP-UHFFFAOYSA-N 1 3 391.301 1.142 20 0 GDADHO [NH3+]C1CCN(c2cccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164745837 720743402 /nfs/dbraw/zinc/74/34/02/720743402.db2.gz WALUQFWEQCFGSR-QZTJIDSGSA-N 1 3 395.511 1.141 20 0 GDADHO c1cncc(CN2CCO[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@@H]3C2)c1 ZINC001164981681 722100014 /nfs/dbraw/zinc/10/00/14/722100014.db2.gz LYMQUCKRPRNGGU-NQIIRXRSSA-N 1 3 394.523 1.287 20 0 GDADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574918201 948837154 /nfs/dbraw/zinc/83/71/54/948837154.db2.gz HEMJDBXRKONVEL-CQSZACIVSA-N 1 3 389.479 1.476 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718464 949781990 /nfs/dbraw/zinc/78/19/90/949781990.db2.gz XOQONDQFMYWCGG-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574718464 949781999 /nfs/dbraw/zinc/78/19/99/949781999.db2.gz XOQONDQFMYWCGG-YJBOKZPZSA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574520887 950757683 /nfs/dbraw/zinc/75/76/83/950757683.db2.gz ATHGVEDKUDRQND-LSDHHAIUSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574520887 950757702 /nfs/dbraw/zinc/75/77/02/950757702.db2.gz ATHGVEDKUDRQND-LSDHHAIUSA-N 1 3 383.500 1.335 20 0 GDADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575090941 951765077 /nfs/dbraw/zinc/76/50/77/951765077.db2.gz LUBIALYVLSURFO-HNNXBMFYSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575090941 951765088 /nfs/dbraw/zinc/76/50/88/951765088.db2.gz LUBIALYVLSURFO-HNNXBMFYSA-N 1 3 383.500 1.337 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001575092927 951795193 /nfs/dbraw/zinc/79/51/93/951795193.db2.gz GAXBSRFPMRFUKB-INIZCTEOSA-N 1 3 385.516 1.679 20 0 GDADHO C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001575093877 951802368 /nfs/dbraw/zinc/80/23/68/951802368.db2.gz LHVMISQYJZPPFR-HNNXBMFYSA-N 1 3 383.500 1.432 20 0 GDADHO C[C@H](CN)NC(=O)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000419994153 531994146 /nfs/dbraw/zinc/99/41/46/531994146.db2.gz GCGMFSHWDIJCFG-GFCCVEGCSA-N 1 3 389.327 1.737 20 0 GDADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(F)c(I)c1 ZINC000423203111 532074629 /nfs/dbraw/zinc/07/46/29/532074629.db2.gz LZLGZHZGABSXEH-LLVKDONJSA-N 1 3 377.245 1.986 20 0 GDADHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735856975 598521477 /nfs/dbraw/zinc/52/14/77/598521477.db2.gz NEZWYAAOSMGYMT-HNNXBMFYSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735856975 598521478 /nfs/dbraw/zinc/52/14/78/598521478.db2.gz NEZWYAAOSMGYMT-HNNXBMFYSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735856975 598521480 /nfs/dbraw/zinc/52/14/80/598521480.db2.gz NEZWYAAOSMGYMT-HNNXBMFYSA-N 1 3 395.515 1.735 20 0 GDADHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735856975 598521482 /nfs/dbraw/zinc/52/14/82/598521482.db2.gz NEZWYAAOSMGYMT-HNNXBMFYSA-N 1 3 395.515 1.735 20 0 GDADHO Cc1ccc(Br)c(S(=O)(=O)NCCN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423101462 646114454 /nfs/dbraw/zinc/11/44/54/646114454.db2.gz CYJWODMBFOPONC-JSGCOSHPSA-N 1 3 390.347 1.753 20 0 GDADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000423179358 646117955 /nfs/dbraw/zinc/11/79/55/646117955.db2.gz MDZUCYUNOVUGHJ-UHFFFAOYSA-N 1 3 399.333 1.017 20 0 GDADHO CSC1(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)CC[NH+](C)CC1 ZINC000601125119 652563146 /nfs/dbraw/zinc/56/31/46/652563146.db2.gz LTIFFUAEQNFZFT-UHFFFAOYSA-N 1 3 377.963 1.904 20 0 GDADHO CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926101 653272469 /nfs/dbraw/zinc/27/24/69/653272469.db2.gz NOZFACFJXBXWTF-UHFFFAOYSA-N 1 3 388.500 1.511 20 0 GDADHO CCN1CC[NH+](CCCCNC(=O)[C@@H](N)c2ccccc2Br)CC1 ZINC000662755984 654302180 /nfs/dbraw/zinc/30/21/80/654302180.db2.gz GEWZZKHMDJXFDN-KRWDZBQOSA-N 1 3 397.361 1.983 20 0 GDADHO COCCCS(=O)(=O)NCCN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156052 656318909 /nfs/dbraw/zinc/31/89/09/656318909.db2.gz DFWVLFZEJNVRBB-FUHWJXTLSA-N 1 3 375.579 1.562 20 0 GDADHO C[NH+]1CCC(NC(=O)CNC(C)(C)COc2ncccc2Br)CC1 ZINC000878336805 656719655 /nfs/dbraw/zinc/71/96/55/656719655.db2.gz QWXTUFDJHVRPKL-UHFFFAOYSA-N 1 3 399.333 1.802 20 0 GDADHO C[C@@](O)(C[NH+]1CCC(O)(CN2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000930168331 657005365 /nfs/dbraw/zinc/00/53/65/657005365.db2.gz NUUTZMBVXQADPA-GFCCVEGCSA-N 1 3 376.366 1.094 20 0 GDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221145 657335794 /nfs/dbraw/zinc/33/57/94/657335794.db2.gz KTZFIDQTAPPAON-DOTOQJQBSA-N 1 3 395.345 1.734 20 0 GDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221145 657335798 /nfs/dbraw/zinc/33/57/98/657335798.db2.gz KTZFIDQTAPPAON-DOTOQJQBSA-N 1 3 395.345 1.734 20 0 GDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](N)c3ccc(Br)cc3)C2)CC1 ZINC000884221145 657335803 /nfs/dbraw/zinc/33/58/03/657335803.db2.gz KTZFIDQTAPPAON-DOTOQJQBSA-N 1 3 395.345 1.734 20 0 GDADHO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)nc3c1CCNC3)CC2 ZINC001164687358 719738030 /nfs/dbraw/zinc/73/80/30/719738030.db2.gz WJLGMFRHTFBAQT-UHFFFAOYSA-N 1 3 377.920 1.562 20 0 GDADHO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(Cl)nc3c1CCNC3)CC2 ZINC001164687358 719738043 /nfs/dbraw/zinc/73/80/43/719738043.db2.gz WJLGMFRHTFBAQT-UHFFFAOYSA-N 1 3 377.920 1.562 20 0 GDADHO c1cncc(CN2CCO[C@@H]3CN(c4ncc5c(n4)CC[NH2+]C5)CC[C@H]3C2)c1 ZINC001164980756 722105288 /nfs/dbraw/zinc/10/52/88/722105288.db2.gz KHUHQTTYNKDADR-FXAWDEMLSA-N 1 3 380.496 1.245 20 0 GDADHO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294128 946124973 /nfs/dbraw/zinc/12/49/73/946124973.db2.gz BGNGLWLAVNBMSQ-UKRRQHHQSA-N 1 3 389.529 1.351 20 0 GDADHO C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294128 946124978 /nfs/dbraw/zinc/12/49/78/946124978.db2.gz BGNGLWLAVNBMSQ-UKRRQHHQSA-N 1 3 389.529 1.351 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574153938 950157845 /nfs/dbraw/zinc/15/78/45/950157845.db2.gz YETQMTJOJYBTKZ-IRXDYDNUSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574153938 950157854 /nfs/dbraw/zinc/15/78/54/950157854.db2.gz YETQMTJOJYBTKZ-IRXDYDNUSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574153938 950157862 /nfs/dbraw/zinc/15/78/62/950157862.db2.gz YETQMTJOJYBTKZ-IRXDYDNUSA-N 1 3 385.516 1.439 20 0 GDADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574153938 950157875 /nfs/dbraw/zinc/15/78/75/950157875.db2.gz YETQMTJOJYBTKZ-IRXDYDNUSA-N 1 3 385.516 1.439 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911247 950444104 /nfs/dbraw/zinc/44/41/04/950444104.db2.gz OEMBREBFYHUDMG-YOEHRIQHSA-N 1 3 381.484 1.042 20 0 GDADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001575911247 950444120 /nfs/dbraw/zinc/44/41/20/950444120.db2.gz OEMBREBFYHUDMG-YOEHRIQHSA-N 1 3 381.484 1.042 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521035 950764634 /nfs/dbraw/zinc/76/46/34/950764634.db2.gz COCNKHFVDUZTCL-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521035 950764650 /nfs/dbraw/zinc/76/46/50/950764650.db2.gz COCNKHFVDUZTCL-LSDHHAIUSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521737 950782611 /nfs/dbraw/zinc/78/26/11/950782611.db2.gz GUGBDOVOLRHAPF-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574521737 950782629 /nfs/dbraw/zinc/78/26/29/950782629.db2.gz GUGBDOVOLRHAPF-GJZGRUSLSA-N 1 3 385.516 1.581 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575078863 951684386 /nfs/dbraw/zinc/68/43/86/951684386.db2.gz AQKMCPCVOZFVEA-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001575078863 951684393 /nfs/dbraw/zinc/68/43/93/951684393.db2.gz AQKMCPCVOZFVEA-CYBMUJFWSA-N 1 3 389.479 1.284 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001575095733 951813922 /nfs/dbraw/zinc/81/39/22/951813922.db2.gz WBHUZRYWGBSESZ-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001575095733 951813929 /nfs/dbraw/zinc/81/39/29/951813929.db2.gz WBHUZRYWGBSESZ-QAPCUYQASA-N 1 3 385.516 1.678 20 0 GDADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575113837 951946993 /nfs/dbraw/zinc/94/69/93/951946993.db2.gz GXCNPPWGBMCSMB-KSSFIOAISA-N 1 3 383.500 1.050 20 0 GDADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001575113837 951947000 /nfs/dbraw/zinc/94/70/00/951947000.db2.gz GXCNPPWGBMCSMB-KSSFIOAISA-N 1 3 383.500 1.050 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234684 953204261 /nfs/dbraw/zinc/20/42/61/953204261.db2.gz FUXXLGLTCRCNGV-CVEARBPZSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571234684 953204263 /nfs/dbraw/zinc/20/42/63/953204263.db2.gz FUXXLGLTCRCNGV-CVEARBPZSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234684 953204265 /nfs/dbraw/zinc/20/42/65/953204265.db2.gz FUXXLGLTCRCNGV-CVEARBPZSA-N 1 3 383.500 1.147 20 0 GDADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571234684 953204266 /nfs/dbraw/zinc/20/42/66/953204266.db2.gz FUXXLGLTCRCNGV-CVEARBPZSA-N 1 3 383.500 1.147 20 0 GDADHO Cc1ccc(Br)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130549235 531061929 /nfs/dbraw/zinc/06/19/29/531061929.db2.gz KTIAFHFUFYMXNU-UHFFFAOYSA-N 1 3 399.333 1.648 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1(c2cncc(Br)c2)CC1 ZINC000524085431 531272554 /nfs/dbraw/zinc/27/25/54/531272554.db2.gz TYZJEWZVMLQVHN-UHFFFAOYSA-N 1 3 383.334 1.828 20 0 GDADHO C[C@H](NC[C@H](O)C(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000484478019 531419361 /nfs/dbraw/zinc/41/93/61/531419361.db2.gz RJRLYSKQFWGDAF-WFASDCNBSA-N 1 3 379.473 1.193 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000414756441 531462890 /nfs/dbraw/zinc/46/28/90/531462890.db2.gz QVJSWIMZTVUJIJ-LBPRGKRZSA-N 1 3 390.347 1.502 20 0 GDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2ccc(Br)s2)C1 ZINC000414756441 531462891 /nfs/dbraw/zinc/46/28/91/531462891.db2.gz QVJSWIMZTVUJIJ-LBPRGKRZSA-N 1 3 390.347 1.502 20 0 GDADHO [NH3+]CC1(O)CCN(CCCOc2cccc(I)c2)CC1 ZINC000415141647 531465698 /nfs/dbraw/zinc/46/56/98/531465698.db2.gz NRDHZKLMUROLGG-UHFFFAOYSA-N 1 3 390.265 1.846 20 0 GDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1c(Cl)cccc1Cl ZINC000559803988 531610031 /nfs/dbraw/zinc/61/00/31/531610031.db2.gz ZDMKRNJVIYVNCD-UHFFFAOYSA-N 1 3 389.327 1.561 20 0 GDADHO C[C@@H](NCCCNS(=O)(=O)c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000423105098 532072360 /nfs/dbraw/zinc/07/23/60/532072360.db2.gz NCPVKYBGSXAQJR-OLZOCXBDSA-N 1 3 390.347 1.705 20 0 GDADHO C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000273301791 532143539 /nfs/dbraw/zinc/14/35/39/532143539.db2.gz UYZOADZQZUNDDJ-FENDNCTDSA-N 1 3 389.587 1.334 20 0 GDADHO C[C@H](Cn1cc(Br)cn1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552279533 650622357 /nfs/dbraw/zinc/62/23/57/650622357.db2.gz QGBRNNYZMXKVCN-CQSZACIVSA-N 1 3 386.338 1.616 20 0 GDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000624392572 653012147 /nfs/dbraw/zinc/01/21/47/653012147.db2.gz UMPYBEVULPKSED-HIFRSBDPSA-N 1 3 379.448 1.896 20 0 GDADHO CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631909973 653267353 /nfs/dbraw/zinc/26/73/53/653267353.db2.gz UGNZZKWRCQGGQO-UHFFFAOYSA-N 1 3 388.603 1.821 20 0 GDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000664315615 654373984 /nfs/dbraw/zinc/37/39/84/654373984.db2.gz UWPNNXXVASHNFX-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc2ccc(Br)cn2n1 ZINC000664315615 654373991 /nfs/dbraw/zinc/37/39/91/654373991.db2.gz UWPNNXXVASHNFX-LBPRGKRZSA-N 1 3 397.321 1.494 20 0 GDADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000925439946 656712655 /nfs/dbraw/zinc/71/26/55/656712655.db2.gz PJCZUTZCLJJGMO-ZACQAIPSSA-N 1 3 375.579 1.526 20 0 GDADHO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](N)c2ccc(Br)cc2)C1 ZINC000884180340 657333241 /nfs/dbraw/zinc/33/32/41/657333241.db2.gz VDFJPYXEYSGGPQ-HOTGVXAUSA-N 1 3 384.318 1.922 20 0 GDADHO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](N)c2ccc(Br)cc2)C1 ZINC000884180340 657333244 /nfs/dbraw/zinc/33/32/44/657333244.db2.gz VDFJPYXEYSGGPQ-HOTGVXAUSA-N 1 3 384.318 1.922 20 0 GDADHO CN1CCC[N@H+](CCCNCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894376350 658548319 /nfs/dbraw/zinc/54/83/19/658548319.db2.gz SEXNHHZGBNQBGF-UHFFFAOYSA-N 1 3 387.981 1.750 20 0 GDADHO CN1CCC[N@@H+](CCCNCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894376350 658548325 /nfs/dbraw/zinc/54/83/25/658548325.db2.gz SEXNHHZGBNQBGF-UHFFFAOYSA-N 1 3 387.981 1.750 20 0 GDADHO